1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine

C15H19F4N — CID 107288032

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N)(c2ccc(F)c(C(F)(F)F)c2)C(C)C1
InChIInChI=1S/C15H19F4N/c1-9-5-6-14(20,10(2)7-9)11-3-4-13(16)12(8-11)15(17,18)19/h3-4,8-10H,5-7,20H2,1-2H3
InChIKeyCCMFIGRTBQFNNW-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.45
Rot. Bonds1

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 107288032) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID107288032
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N)(c2ccc(F)c(C(F)(F)F)c2)C(C)C1
InChIInChI=1S/C15H19F4N/c1-9-5-6-14(20,10(2)7-9)11-3-4-13(16)12(8-11)15(17,18)19/h3-4,8-10H,5-7,20H2,1-2H3
InChIKeyCCMFIGRTBQFNNW-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine (CID 107288032) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(N)(c2ccc(F)c(C(F)(F)F)c2)C(C)C1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is CCMFIGRTBQFNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c1-9-5-6-14(20,10(2)7-9)11-3-4-13(16)12(8-11)15(17,18)19/h3-4,8-10H,5-7,20H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 289.32 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 107288032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).