1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol

C13H14F4O — CID 64759665

IUPAC1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2ccccc2F)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H14F4O/c14-11-6-2-1-5-10(11)12(18)7-3-4-9(8-12)13(15,16)17/h1-2,5-6,9,18H,3-4,7-8H2
InChIKeyJWXDMGDFTABQJP-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.77
Rot. Bonds1

About 1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64759665) has the molecular formula C13H14F4O and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64759665
Molecular FormulaC13H14F4O
Molecular Weight262.25 g/mol
Exact Mass262.10
IUPAC Name1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2ccccc2F)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H14F4O/c14-11-6-2-1-5-10(11)12(18)7-3-4-9(8-12)13(15,16)17/h1-2,5-6,9,18H,3-4,7-8H2
InChIKeyJWXDMGDFTABQJP-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79743510
1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757033
1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104658752
1-(4-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757037
1-(3-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759467
1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723916
1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757432
3-(2-fluorophenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171965109
2,2,2-trifluoro-1-[(1S,5R)-3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 1446836
1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol
CID 81197260
1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756729
4-(2-fluorophenyl)oxan-4-ol
CID 63220717

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 64759665) is 1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol is OC1(c2ccccc2F)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is JWXDMGDFTABQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O/c14-11-6-2-1-5-10(11)12(18)7-3-4-9(8-12)13(15,16)17/h1-2,5-6,9,18H,3-4,7-8H2.
What are the key properties of 1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 262.25 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64759665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).