2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine

C14H15F6N — CID 63052233

IUPAC2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine
SMILESFc1cc(CNC2CCCCC2C(F)(F)F)cc(F)c1F
InChIInChI=1S/C14H15F6N/c15-10-5-8(6-11(16)13(10)17)7-21-12-4-2-1-3-9(12)14(18,19)20/h5-6,9,12,21H,1-4,7H2
InChIKeyQEQXJRWIOFMGEY-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.31
Rot. Bonds3

About 2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine

2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 63052233) has the molecular formula C14H15F6N and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine
PubChem CID63052233
Molecular FormulaC14H15F6N
Molecular Weight311.27 g/mol
Exact Mass311.11
IUPAC Name2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine
SMILESFc1cc(CNC2CCCCC2C(F)(F)F)cc(F)c1F
InChIInChI=1S/C14H15F6N/c15-10-5-8(6-11(16)13(10)17)7-21-12-4-2-1-3-9(12)14(18,19)20/h5-6,9,12,21H,1-4,7H2
InChIKeyQEQXJRWIOFMGEY-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 63646209
N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434463
N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 79970039
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
CID 63050226
N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 102909770
2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 64907785
N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62134250
2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 63051722
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 60957296
N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64759304
N-[(3,4,5-trifluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602479
2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline
CID 66418811

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine (CID 63052233) is 2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine is Fc1cc(CNC2CCCCC2C(F)(F)F)cc(F)c1F.
What is the InChIKey of 2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is QEQXJRWIOFMGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6N/c15-10-5-8(6-11(16)13(10)17)7-21-12-4-2-1-3-9(12)14(18,19)20/h5-6,9,12,21H,1-4,7H2.
What are the key properties of 2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine?
2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 311.27 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63052233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).