2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol

C15H17ClF4O — CID 102623125

IUPAC2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1cc(F)ccc1Cl)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H17ClF4O/c16-13-6-5-10(17)7-9(13)8-14(21)11-3-1-2-4-12(11)15(18,19)20/h5-7,11-12,14,21H,1-4,8H2
InChIKeyRHDKYORRJYBWEP-UHFFFAOYSA-N
MW324.75 g/mol
LogP4.75
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol

2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 102623125) has the molecular formula C15H17ClF4O and a molecular weight of 324.75 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID102623125
Molecular FormulaC15H17ClF4O
Molecular Weight324.75 g/mol
Exact Mass324.09
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1cc(F)ccc1Cl)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H17ClF4O/c16-13-6-5-10(17)7-9(13)8-14(21)11-3-1-2-4-12(11)15(18,19)20/h5-7,11-12,14,21H,1-4,8H2
InChIKeyRHDKYORRJYBWEP-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 103053363
2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102867474
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102618237
2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 104622655
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
CID 65399387
1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine
CID 102622536
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 102617981
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102618123

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol (CID 102623125) is 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol is OC(Cc1cc(F)ccc1Cl)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is RHDKYORRJYBWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF4O/c16-13-6-5-10(17)7-9(13)8-14(21)11-3-1-2-4-12(11)15(18,19)20/h5-7,11-12,14,21H,1-4,8H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 324.75 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 102623125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).