1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine

C13H22F3N — CID 64756974

IUPAC1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(C2CCCCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3N/c14-13(15,16)11-7-4-8-12(17,9-11)10-5-2-1-3-6-10/h10-11H,1-9,17H2
InChIKeyMLJVEZYZJTZPFL-UHFFFAOYSA-N
MW249.32 g/mol
LogP4.02
Rot. Bonds1

About 1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine

1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756974) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756974
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(C2CCCCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3N/c14-13(15,16)11-7-4-8-12(17,9-11)10-5-2-1-3-6-10/h10-11H,1-9,17H2
InChIKeyMLJVEZYZJTZPFL-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexylcyclohexan-1-amine
CID 19016582
3-(Trifluoromethyl)adamantan-1-amine
CID 3710256
4,4-Difluoroadamantan-1-amine
CID 4829688
4-(Difluoromethyl)adamantan-1-amine
CID 58192793
4,4-Difluoro-1-(2-methylpropyl)cyclohexan-1-amine
CID 66570365
1-(4,4-Difluorocyclohexyl)-2-methylpropan-2-amine
CID 67531879
(3S)-4-(difluoromethyl)adamantan-1-amine
CID 68394606
2,2,3-Trifluoroadamantan-1-amine
CID 69043162
2-(4,4-Difluorocyclohexyl)propan-2-amine
CID 69918337
4-(Difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine
CID 71007853
3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine
CID 129294880
3-Ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine
CID 130451405

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 64756974) is 1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine is NC1(C2CCCCC2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MLJVEZYZJTZPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c14-13(15,16)11-7-4-8-12(17,9-11)10-5-2-1-3-6-10/h10-11H,1-9,17H2.
What are the key properties of 1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine?
1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).