1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol

C9H13F3O — CID 62079269

IUPAC1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C9H13F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h4,8,13H,1-3,5-6H2
InChIKeyVEENDBCNWGPXET-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.80
Rot. Bonds2

About 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol

1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol (PubChem CID 62079269) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol
PubChem CID62079269
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C9H13F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h4,8,13H,1-3,5-6H2
InChIKeyVEENDBCNWGPXET-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.80
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)-3,3,3-trifluoropropan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol (CID 62079269) is 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol is OC(CC(F)(F)F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is VEENDBCNWGPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h4,8,13H,1-3,5-6H2.
What are the key properties of 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol?
1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 194.20 g/mol, XLogP of 2.80, 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)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 62079269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).