(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine

C14H16F5N — CID 105149474

IUPAC(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1c(F)cccc1F)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F5N/c15-10-2-1-3-11(16)12(10)13(20)8-4-6-9(7-5-8)14(17,18)19/h1-3,8-9,13H,4-7,20H2
InChIKeyNLFGYXOVSKJHQH-UHFFFAOYSA-N
MW293.28 g/mol
LogP4.33
Rot. Bonds2

About (2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine

(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105149474) has the molecular formula C14H16F5N and a molecular weight of 293.28 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105149474
Molecular FormulaC14H16F5N
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC Name(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1c(F)cccc1F)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F5N/c15-10-2-1-3-11(16)12(10)13(20)8-4-6-9(7-5-8)14(17,18)19/h1-3,8-9,13H,4-7,20H2
InChIKeyNLFGYXOVSKJHQH-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 106944937
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556
(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105172197
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105140713
(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105142128
(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105093730
(2,6-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681101
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105188014
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105149474) is (2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine is NC(c1c(F)cccc1F)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is NLFGYXOVSKJHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5N/c15-10-2-1-3-11(16)12(10)13(20)8-4-6-9(7-5-8)14(17,18)19/h1-3,8-9,13H,4-7,20H2.
What are the key properties of (2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 293.28 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105149474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).