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

C8H8F6O — CID 21062416

IUPAC2-cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CC=CC1)(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/h1-2,5,15H,3-4H2
InChIKeyJMOPLPPDTLGXOB-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.81
Rot. Bonds1

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

2-cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 21062416) has the molecular formula C8H8F6O and a molecular weight of 234.14 g/mol. Its IUPAC name is 2-cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID21062416
Molecular FormulaC8H8F6O
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Name2-cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CC=CC1)(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/h1-2,5,15H,3-4H2
InChIKeyJMOPLPPDTLGXOB-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 21062416) is 2-cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1CC=CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is JMOPLPPDTLGXOB-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/h1-2,5,15H,3-4H2.
What are the key properties of 2-cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-cyclopent-3-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-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 21062416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).