2-(2,3,5-trifluorophenyl)cyclohexan-1-ol

C12H13F3O — CID 139573219

IUPAC2-(2,3,5-trifluorophenyl)cyclohexan-1-ol
SMILESOC1CCCCC1c1cc(F)cc(F)c1F
InChIInChI=1S/C12H13F3O/c13-7-5-9(12(15)10(14)6-7)8-3-1-2-4-11(8)16/h5-6,8,11,16H,1-4H2
InChIKeyCCRIRYUBLZEFMU-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.12
Rot. Bonds1

About 2-(2,3,5-trifluorophenyl)cyclohexan-1-ol

2-(2,3,5-trifluorophenyl)cyclohexan-1-ol (PubChem CID 139573219) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-(2,3,5-trifluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2,3,5-trifluorophenyl)cyclohexan-1-ol
PubChem CID139573219
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name2-(2,3,5-trifluorophenyl)cyclohexan-1-ol
SMILESOC1CCCCC1c1cc(F)cc(F)c1F
InChIInChI=1S/C12H13F3O/c13-7-5-9(12(15)10(14)6-7)8-3-1-2-4-11(8)16/h5-6,8,11,16H,1-4H2
InChIKeyCCRIRYUBLZEFMU-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

alpha-(2-Methylpropyl)benzeneethanol
CID 62661
2-Phenyl-1-propanol
CID 14295
1-Phenyl-2-pentanol
CID 61202
2-Phenylcyclohexanol
CID 15046
1-Phenyl-2-propanol
CID 94185
4-Fluorophenethyl Alcohol
CID 82068
beta-Phenylphenethyl alcohol
CID 74662
1-Phenyl-2-butanol
CID 92833
1-Phenyl-2-propanol, (-)-
CID 5324631
3,3-Diphenylpropanol
CID 29908
2-Phenylbutane-1-ol
CID 95542
2-Phenyl-1,3-propanediol
CID 254178

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trifluorophenyl)cyclohexan-1-ol?
The IUPAC name of 2-(2,3,5-trifluorophenyl)cyclohexan-1-ol (CID 139573219) is 2-(2,3,5-trifluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2,3,5-trifluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 2-(2,3,5-trifluorophenyl)cyclohexan-1-ol is OC1CCCCC1c1cc(F)cc(F)c1F.
What is the InChIKey of 2-(2,3,5-trifluorophenyl)cyclohexan-1-ol?
The InChIKey is CCRIRYUBLZEFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c13-7-5-9(12(15)10(14)6-7)8-3-1-2-4-11(8)16/h5-6,8,11,16H,1-4H2.
What are the key properties of 2-(2,3,5-trifluorophenyl)cyclohexan-1-ol?
2-(2,3,5-trifluorophenyl)cyclohexan-1-ol has a molecular weight of 230.23 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trifluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 139573219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).