2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol

C15H17ClF4O — CID 102867474

IUPAC2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1cccc(Cl)c1F)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H17ClF4O/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
InChIKeyHDFVVJJVZYVUEP-UHFFFAOYSA-N
MW324.75 g/mol
LogP4.75
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol

2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 102867474) has the molecular formula C15H17ClF4O and a molecular weight of 324.75 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID102867474
Molecular FormulaC15H17ClF4O
Molecular Weight324.75 g/mol
Exact Mass324.09
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1cccc(Cl)c1F)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H17ClF4O/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
InChIKeyHDFVVJJVZYVUEP-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-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 104622655
2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102623125
2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 103053363
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
1-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]-2,3-difluorobenzene
CID 104622698
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380
2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol
CID 82802497
2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622298
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol
CID 82805654
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452151
[1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine
CID 102868743

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol (CID 102867474) is 2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol is OC(Cc1cccc(Cl)c1F)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is HDFVVJJVZYVUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF4O/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-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
2-(3-chloro-2-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-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 102867474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).