2,2-difluoropent-4-en-1-ol

C5H8F2O — CID 14049932

IUPAC2,2-difluoropent-4-en-1-ol
SMILESC=CCC(F)(F)CO
InChIInChI=1S/C5H8F2O/c1-2-3-5(6,7)4-8/h2,8H,1,3-4H2
InChIKeyRGUVXNXQTXWMTK-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.19
Rot. Bonds3

About 2,2-difluoropent-4-en-1-ol

2,2-difluoropent-4-en-1-ol (PubChem CID 14049932) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 2,2-difluoropent-4-en-1-ol.

Molecular Properties

Compound Name2,2-difluoropent-4-en-1-ol
PubChem CID14049932
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name2,2-difluoropent-4-en-1-ol
SMILESC=CCC(F)(F)CO
InChIInChI=1S/C5H8F2O/c1-2-3-5(6,7)4-8/h2,8H,1,3-4H2
InChIKeyRGUVXNXQTXWMTK-UHFFFAOYSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.19
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-difluoropent-4-en-1-ol?
The IUPAC name of 2,2-difluoropent-4-en-1-ol (CID 14049932) is 2,2-difluoropent-4-en-1-ol.
What is the SMILES notation for 2,2-difluoropent-4-en-1-ol?
The canonical SMILES for 2,2-difluoropent-4-en-1-ol is C=CCC(F)(F)CO.
What is the InChIKey of 2,2-difluoropent-4-en-1-ol?
The InChIKey is RGUVXNXQTXWMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-2-3-5(6,7)4-8/h2,8H,1,3-4H2.
What are the key properties of 2,2-difluoropent-4-en-1-ol?
2,2-difluoropent-4-en-1-ol has a molecular weight of 122.11 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropent-4-en-1-ol is sourced from PubChem (CID 14049932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).