2CF

(2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate

Created:	2010-03-23
Last modified:	2011-06-04

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3 entries where 2CF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	0

2D diagram of 2CF

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Chemical Component Summary
Name	(2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
Systematic Name (OpenEye OEToolkits)	[(2E,6E)-2-fluoro-3,7,11-trimethyl-dodeca-2,6,10-trienyl] phosphono hydrogen phosphate
Formula	C₁₅ H₂₇ F O₇ P₂
Molecular Weight	400.317
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OP(=O)(OCC(/F)=C(/C)CC\C=C(/C)CC\C=C(/C)C)O
SMILES	CACTVS	3.370	CC(C)=CCCC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.0	CC(=CCCC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C)C
Canonical SMILES	CACTVS	3.370	CC(C)=CCC/C(C)=C/CC\C(C)=C(\F)CO[P](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(=CCC/C(=C/CC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)/C)C
InChI	InChI	1.03	InChI=1S/C15H27FO7P2/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(16)11-22-25(20,21)23-24(17,18)19/h7,9H,5-6,8,10-11H2,1-4H3,(H,20,21)(H2,17,18,19)/b13-9+,15-14+
InChIKey	InChI	1.03	DXHJZCKJWKWTCH-BBXOWAOSSA-N

Related Resource References

Resource Name	Reference
PubChem	46224514

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