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

C15H17F5O — CID 104622655

IUPAC2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1cccc(F)c1F)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H17F5O/c16-12-7-3-4-9(14(12)17)8-13(21)10-5-1-2-6-11(10)15(18,19)20/h3-4,7,10-11,13,21H,1-2,5-6,8H2
InChIKeyJBIRNDZWECIHAF-UHFFFAOYSA-N
MW308.29 g/mol
LogP4.24
Rot. Bonds3

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

2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 104622655) has the molecular formula C15H17F5O and a molecular weight of 308.29 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID104622655
Molecular FormulaC15H17F5O
Molecular Weight308.29 g/mol
Exact Mass308.12
IUPAC Name2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1cccc(F)c1F)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H17F5O/c16-12-7-3-4-9(14(12)17)8-13(21)10-5-1-2-6-11(10)15(18,19)20/h3-4,7,10-11,13,21H,1-2,5-6,8H2
InChIKeyJBIRNDZWECIHAF-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102867474
2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622298
1-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]-2,3-difluorobenzene
CID 104622698
2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 103053363
2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102623125
2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622284
2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol
CID 65149953
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol
CID 106657648
1-(2,3-difluorophenyl)-4,4-dimethylpentan-2-ol
CID 63891069

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol (CID 104622655) is 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol is OC(Cc1cccc(F)c1F)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is JBIRNDZWECIHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F5O/c16-12-7-3-4-9(14(12)17)8-13(21)10-5-1-2-6-11(10)15(18,19)20/h3-4,7,10-11,13,21H,1-2,5-6,8H2.
What are the key properties of 2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 308.29 g/mol, XLogP of 4.24, 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]ethanol is sourced from PubChem (CID 104622655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).