5,5-difluoropenta-2,4-dien-1-ol

C5H6F2O — CID 162537036

IUPAC5,5-difluoropenta-2,4-dien-1-ol
SMILESOCC=CC=C(F)F
InChIInChI=1S/C5H6F2O/c6-5(7)3-1-2-4-8/h1-3,8H,4H2
InChIKeyKVGXIIKALMFAJK-UHFFFAOYSA-N
MW120.10 g/mol
LogP1.32
Rot. Bonds2

About 5,5-difluoropenta-2,4-dien-1-ol

5,5-difluoropenta-2,4-dien-1-ol (PubChem CID 162537036) has the molecular formula C5H6F2O and a molecular weight of 120.10 g/mol. Its IUPAC name is 5,5-difluoropenta-2,4-dien-1-ol.

Molecular Properties

Compound Name5,5-difluoropenta-2,4-dien-1-ol
PubChem CID162537036
Molecular FormulaC5H6F2O
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name5,5-difluoropenta-2,4-dien-1-ol
SMILESOCC=CC=C(F)F
InChIInChI=1S/C5H6F2O/c6-5(7)3-1-2-4-8/h1-3,8H,4H2
InChIKeyKVGXIIKALMFAJK-UHFFFAOYSA-N
XLogP1.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropenta-2,4-dien-1-ol?
The IUPAC name of 5,5-difluoropenta-2,4-dien-1-ol (CID 162537036) is 5,5-difluoropenta-2,4-dien-1-ol.
What is the SMILES notation for 5,5-difluoropenta-2,4-dien-1-ol?
The canonical SMILES for 5,5-difluoropenta-2,4-dien-1-ol is OCC=CC=C(F)F.
What is the InChIKey of 5,5-difluoropenta-2,4-dien-1-ol?
The InChIKey is KVGXIIKALMFAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O/c6-5(7)3-1-2-4-8/h1-3,8H,4H2.
What are the key properties of 5,5-difluoropenta-2,4-dien-1-ol?
5,5-difluoropenta-2,4-dien-1-ol has a molecular weight of 120.10 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropenta-2,4-dien-1-ol is sourced from PubChem (CID 162537036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).