(2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine

C14H16F5N — CID 105143945

IUPAC(2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1cc(F)ccc1F)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H16F5N/c15-10-4-5-12(16)11(7-10)13(20)8-2-1-3-9(6-8)14(17,18)19/h4-5,7-9,13H,1-3,6,20H2
InChIKeyGRVLJRVRWNBBHY-UHFFFAOYSA-N
MW293.28 g/mol
LogP4.33
Rot. Bonds2

About (2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine

(2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105143945) has the molecular formula C14H16F5N and a molecular weight of 293.28 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105143945
Molecular FormulaC14H16F5N
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC Name(2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1cc(F)ccc1F)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H16F5N/c15-10-4-5-12(16)11(7-10)13(20)8-2-1-3-9(6-8)14(17,18)19/h4-5,7-9,13H,1-3,6,20H2
InChIKeyGRVLJRVRWNBBHY-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

(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 103397393
(S)-cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 171228691
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
1-(2-chloro-5-fluorophenyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105397310
(2,5-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287809
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322
[2-(4-fluorophenyl)-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105283791
(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
CID 171216193
(2,5-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410116
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine (CID 105143945) is (2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine is NC(c1cc(F)ccc1F)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of (2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is GRVLJRVRWNBBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5N/c15-10-4-5-12(16)11(7-10)13(20)8-2-1-3-9(6-8)14(17,18)19/h4-5,7-9,13H,1-3,6,20H2.
What are the key properties of (2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine?
(2,5-difluorophenyl)-[3-(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 (2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105143945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).