2-(2,2-difluoroethyl)pent-4-en-1-ol

C7H12F2O — CID 134163263

IUPAC2-(2,2-difluoroethyl)pent-4-en-1-ol
SMILESC=CCC(CO)CC(F)F
InChIInChI=1S/C7H12F2O/c1-2-3-6(5-10)4-7(8)9/h2,6-7,10H,1,3-5H2
InChIKeyZKNPSYFFFJQWFF-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.83
Rot. Bonds5

About 2-(2,2-difluoroethyl)pent-4-en-1-ol

2-(2,2-difluoroethyl)pent-4-en-1-ol (PubChem CID 134163263) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)pent-4-en-1-ol.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)pent-4-en-1-ol
PubChem CID134163263
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2-(2,2-difluoroethyl)pent-4-en-1-ol
SMILESC=CCC(CO)CC(F)F
InChIInChI=1S/C7H12F2O/c1-2-3-6(5-10)4-7(8)9/h2,6-7,10H,1,3-5H2
InChIKeyZKNPSYFFFJQWFF-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.83
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-(2,2-difluoroethyl)pent-4-en-1-ol?
The IUPAC name of 2-(2,2-difluoroethyl)pent-4-en-1-ol (CID 134163263) is 2-(2,2-difluoroethyl)pent-4-en-1-ol.
What is the SMILES notation for 2-(2,2-difluoroethyl)pent-4-en-1-ol?
The canonical SMILES for 2-(2,2-difluoroethyl)pent-4-en-1-ol is C=CCC(CO)CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)pent-4-en-1-ol?
The InChIKey is ZKNPSYFFFJQWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-2-3-6(5-10)4-7(8)9/h2,6-7,10H,1,3-5H2.
What are the key properties of 2-(2,2-difluoroethyl)pent-4-en-1-ol?
2-(2,2-difluoroethyl)pent-4-en-1-ol has a molecular weight of 150.17 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)pent-4-en-1-ol is sourced from PubChem (CID 134163263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).