1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol

C16H20F2O — CID 106657648

IUPAC1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1F)/C1=C/CCCCCC1
InChIInChI=1S/C16H20F2O/c17-14-10-6-9-13(16(14)18)11-15(19)12-7-4-2-1-3-5-8-12/h6-7,9-10,15,19H,1-5,8,11H2/b12-7+
InChIKeyGFSXFAFWCDZJMW-KPKJPENVSA-N
MW266.33 g/mol
LogP4.15
Rot. Bonds3

About 1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol

1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol (PubChem CID 106657648) has the molecular formula C16H20F2O and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol
PubChem CID106657648
Molecular FormulaC16H20F2O
Molecular Weight266.33 g/mol
Exact Mass266.15
IUPAC Name1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1F)/C1=C/CCCCCC1
InChIInChI=1S/C16H20F2O/c17-14-10-6-9-13(16(14)18)11-15(19)12-7-4-2-1-3-5-8-12/h6-7,9-10,15,19H,1-5,8,11H2/b12-7+
InChIKeyGFSXFAFWCDZJMW-KPKJPENVSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1E)-cycloocten-1-yl]-2-(2,3-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]-2-(3-fluorophenyl)ethanol
CID 106657561
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol
CID 106657597
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
[1-(cyclohexen-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 106648715
1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol
CID 106657625
1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078209
2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106828875
1-(cyclohexen-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078161
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine
CID 62078868

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol (CID 106657648) is 1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol is OC(Cc1cccc(F)c1F)/C1=C/CCCCCC1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol?
The InChIKey is GFSXFAFWCDZJMW-KPKJPENVSA-N. The full InChI is InChI=1S/C16H20F2O/c17-14-10-6-9-13(16(14)18)11-15(19)12-7-4-2-1-3-5-8-12/h6-7,9-10,15,19H,1-5,8,11H2/b12-7+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol?
1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol has a molecular weight of 266.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol is sourced from PubChem (CID 106657648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).