1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol

C9H13F3O — CID 10631655

IUPAC1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol
SMILESOC(C(F)=C(F)F)C1CCCCC1
InChIInChI=1S/C9H13F3O/c10-7(9(11)12)8(13)6-4-2-1-3-5-6/h6,8,13H,1-5H2
InChIKeyLQAOTNVIMIPDSC-UHFFFAOYSA-N
MW194.20 g/mol
LogP3.01
Rot. Bonds2

About 1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol

1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol (PubChem CID 10631655) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol
PubChem CID10631655
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol
SMILESOC(C(F)=C(F)F)C1CCCCC1
InChIInChI=1S/C9H13F3O/c10-7(9(11)12)8(13)6-4-2-1-3-5-6/h6,8,13H,1-5H2
InChIKeyLQAOTNVIMIPDSC-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-2,3,3-trifluoroprop-2-en-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-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol?
The IUPAC name of 1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol (CID 10631655) is 1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol.
What is the SMILES notation for 1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol?
The canonical SMILES for 1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol is OC(C(F)=C(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol?
The InChIKey is LQAOTNVIMIPDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c10-7(9(11)12)8(13)6-4-2-1-3-5-6/h6,8,13H,1-5H2.
What are the key properties of 1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol?
1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol has a molecular weight of 194.20 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,3,3-trifluoroprop-2-en-1-ol is sourced from PubChem (CID 10631655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).