3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol

C22H29F9O — CID 23591048

IUPAC3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol
SMILESC=C(CC(CC(F)=C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C22H29F9O/c1-13(14-7-9-16(10-8-14)15-5-3-2-4-6-15)11-17(12-18(23)19(24)25)20(32,21(26,27)28)22(29,30)31/h14-17,32H,1-12H2
InChIKeyVFGUDDURTGLILA-UHFFFAOYSA-N
MW480.46 g/mol
LogP8.26
Rot. Bonds7

About 3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol

3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol (PubChem CID 23591048) has the molecular formula C22H29F9O and a molecular weight of 480.46 g/mol. Its IUPAC name is 3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol.

Molecular Properties

Compound Name3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol
PubChem CID23591048
Molecular FormulaC22H29F9O
Molecular Weight480.46 g/mol
Exact Mass480.21
IUPAC Name3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol
SMILESC=C(CC(CC(F)=C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C22H29F9O/c1-13(14-7-9-16(10-8-14)15-5-3-2-4-6-15)11-17(12-18(23)19(24)25)20(32,21(26,27)28)22(29,30)31/h14-17,32H,1-12H2
InChIKeyVFGUDDURTGLILA-UHFFFAOYSA-N
XLogP8.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.46
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-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 3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol?
The IUPAC name of 3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol (CID 23591048) is 3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol.
What is the SMILES notation for 3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol?
The canonical SMILES for 3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol is C=C(CC(CC(F)=C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C1CCC(C2CCCCC2)CC1.
What is the InChIKey of 3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol?
The InChIKey is VFGUDDURTGLILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F9O/c1-13(14-7-9-16(10-8-14)15-5-3-2-4-6-15)11-17(12-18(23)19(24)25)20(32,21(26,27)28)22(29,30)31/h14-17,32H,1-12H2.
What are the key properties of 3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol?
3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol has a molecular weight of 480.46 g/mol, XLogP of 8.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol is sourced from PubChem (CID 23591048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).