2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol

C8H8F6O — CID 21062415

IUPAC2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1C=CCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O/c9-7(10,11)6(15,8(12,13)14)5-3-1-2-4-5/h1,3,5,15H,2,4H2
InChIKeyMIJNLRQLZSOYSD-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.81
Rot. Bonds1

About 2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol

2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 21062415) has the molecular formula C8H8F6O and a molecular weight of 234.14 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID21062415
Molecular FormulaC8H8F6O
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Name2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1C=CCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O/c9-7(10,11)6(15,8(12,13)14)5-3-1-2-4-5/h1,3,5,15H,2,4H2
InChIKeyMIJNLRQLZSOYSD-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-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

Related Compounds

a-Trifluoromethyl-3-cyclohexenol
CID 66596130
2-Cyclohex-2-en-1-yl-1,1,1-trifluoropropan-2-ol
CID 13601564
4-Ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol
CID 20760656
1,1,1,6-Tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol
CID 20760669
2-Cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21062416
2-(Cyclopent-3-en-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21062417
4-Ethenyl-1,1,1,6,7,7-hexafluoro-2-methylhept-6-en-2-ol
CID 57588694
1,1,1-Trifluoro-2-(trifluoromethyl)-3-(2,3,3-trifluoroprop-2-enyl)hept-6-en-2-ol
CID 57588713
3-Ethenyl-1,1,1,5,6,6-hexafluoro-2-methylhex-5-en-2-ol
CID 57588723
2-Cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol
CID 58705065
1,1,1,3,3,3-Hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol
CID 58854814
1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol
CID 58854820

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 21062415) is 2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1C=CCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is MIJNLRQLZSOYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O/c9-7(10,11)6(15,8(12,13)14)5-3-1-2-4-5/h1,3,5,15H,2,4H2.
What are the key properties of 2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 234.14 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 21062415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).