1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol

C14H16F2O — CID 106651344

IUPAC1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol
SMILESCC(O)(C1=CCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2O/c1-14(17,10-5-3-2-4-6-10)11-7-12(15)9-13(16)8-11/h5,7-9,17H,2-4,6H2,1H3
InChIKeyDIOSBAFYUAYYQF-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.67
Rot. Bonds2

About 1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol

1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol (PubChem CID 106651344) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol
PubChem CID106651344
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol
SMILESCC(O)(C1=CCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2O/c1-14(17,10-5-3-2-4-6-10)11-7-12(15)9-13(16)8-11/h5,7-9,17H,2-4,6H2,1H3
InChIKeyDIOSBAFYUAYYQF-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol
CID 106650804
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
4-[1-[(1E)-cycloocten-1-yl]-1-hydroxyethyl]benzonitrile
CID 106651452
2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol
CID 106651664
1-[(1E)-cycloocten-1-yl]-1-(2-methylphenyl)ethanol
CID 106650799
2-(cyclohexen-1-yl)but-3-en-2-ol
CID 11332570
2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol
CID 106651265
2-(cyclohexen-1-yl)-2-fluoropropanoic acid
CID 105435083
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
1-(cyclohepten-1-yl)-1-fluoroethanamine
CID 105430737
1-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62786600
4-[2-(cycloocten-1-yl)propan-2-yl]phenol
CID 174631352

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol?
The IUPAC name of 1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol (CID 106651344) is 1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol?
The canonical SMILES for 1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol is CC(O)(C1=CCCCC1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol?
The InChIKey is DIOSBAFYUAYYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O/c1-14(17,10-5-3-2-4-6-10)11-7-12(15)9-13(16)8-11/h5,7-9,17H,2-4,6H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol?
1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol has a molecular weight of 238.28 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol is sourced from PubChem (CID 106651344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).