4,4-difluoropent-2-en-3-ol

C5H8F2O — CID 76589878

IUPAC4,4-difluoropent-2-en-3-ol
SMILESCC=C(O)C(C)(F)F
InChIInChI=1S/C5H8F2O/c1-3-4(8)5(2,6)7/h3,8H,1-2H3
InChIKeyKMKGKILIYBVLFU-UHFFFAOYSA-N
MW122.11 g/mol
LogP2.10
Rot. Bonds1

About 4,4-difluoropent-2-en-3-ol

4,4-difluoropent-2-en-3-ol (PubChem CID 76589878) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 4,4-difluoropent-2-en-3-ol.

Molecular Properties

Compound Name4,4-difluoropent-2-en-3-ol
PubChem CID76589878
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name4,4-difluoropent-2-en-3-ol
SMILESCC=C(O)C(C)(F)F
InChIInChI=1S/C5H8F2O/c1-3-4(8)5(2,6)7/h3,8H,1-2H3
InChIKeyKMKGKILIYBVLFU-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropent-2-en-3-ol?
The IUPAC name of 4,4-difluoropent-2-en-3-ol (CID 76589878) is 4,4-difluoropent-2-en-3-ol.
What is the SMILES notation for 4,4-difluoropent-2-en-3-ol?
The canonical SMILES for 4,4-difluoropent-2-en-3-ol is CC=C(O)C(C)(F)F.
What is the InChIKey of 4,4-difluoropent-2-en-3-ol?
The InChIKey is KMKGKILIYBVLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-3-4(8)5(2,6)7/h3,8H,1-2H3.
What are the key properties of 4,4-difluoropent-2-en-3-ol?
4,4-difluoropent-2-en-3-ol has a molecular weight of 122.11 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropent-2-en-3-ol is sourced from PubChem (CID 76589878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).