2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

C15H18F5N — CID 104622298

IUPAC2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESNC(Cc1cccc(F)c1F)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H18F5N/c16-12-7-3-4-9(14(12)17)8-13(21)10-5-1-2-6-11(10)15(18,19)20/h3-4,7,10-11,13H,1-2,5-6,8,21H2
InChIKeyUMEAELMHNQNJFY-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.20
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 104622298) has the molecular formula C15H18F5N and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID104622298
Molecular FormulaC15H18F5N
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESNC(Cc1cccc(F)c1F)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H18F5N/c16-12-7-3-4-9(14(12)17)8-13(21)10-5-1-2-6-11(10)15(18,19)20/h3-4,7,10-11,13H,1-2,5-6,8,21H2
InChIKeyUMEAELMHNQNJFY-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 104622655
1-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]-2,3-difluorobenzene
CID 104622698
2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107179648
2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102867474
2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622284
1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179
[1-cyclohexyl-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105296152
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191652
2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105172197
1-(2,3-difluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79052980
[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 81010182
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (CID 104622298) is 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is NC(Cc1cccc(F)c1F)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is UMEAELMHNQNJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F5N/c16-12-7-3-4-9(14(12)17)8-13(21)10-5-1-2-6-11(10)15(18,19)20/h3-4,7,10-11,13H,1-2,5-6,8,21H2.
What are the key properties of 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 307.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 104622298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).