A1CFR

(1r,4r)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

Created:	2025-06-09
Last modified:	2025-11-05

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1 entries where A1CFR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	0

2D diagram of A1CFR

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Chemical Component Summary
Name	(1r,4r)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
Systematic Name (OpenEye OEToolkits)	~{N}-methyl-4-(trifluoromethyl)cyclohexan-1-amine
Formula	C₈ H₁₄ F₃ N
Molecular Weight	181.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CNC1CCC(CC1)C(F)(F)F
SMILES	CACTVS	3.385	CN[CH]1CC[CH](CC1)C(F)(F)F
SMILES	OpenEye OEToolkits	3.1.0.0	CNC1CCC(CC1)C(F)(F)F
Canonical SMILES	CACTVS	3.385	CN[C@H]1CC[C@@H](CC1)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CNC1CCC(CC1)C(F)(F)F
InChI	InChI	1.06	InChI=1S/C8H14F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7-
InChIKey	InChI	1.06	QUUODNYZDCDMHQ-LJGSYFOKSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.