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

C5H8F2O — CID 23129819

IUPAC1,2-difluoropent-4-en-1-ol
SMILESC=CCC(F)C(O)F
InChIInChI=1S/C5H8F2O/c1-2-3-4(6)5(7)8/h2,4-5,8H,1,3H2
InChIKeyGPHPRLXZUCPODP-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.19
Rot. Bonds3

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

1,2-difluoropent-4-en-1-ol (PubChem CID 23129819) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 1,2-difluoropent-4-en-1-ol.

Molecular Properties

Compound Name1,2-difluoropent-4-en-1-ol
PubChem CID23129819
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name1,2-difluoropent-4-en-1-ol
SMILESC=CCC(F)C(O)F
InChIInChI=1S/C5H8F2O/c1-2-3-4(6)5(7)8/h2,4-5,8H,1,3H2
InChIKeyGPHPRLXZUCPODP-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'}

Analyze 1,2-difluoropent-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
hexa-1,5-dien-3-ol;hydrochloride
CID 174661515
azane;pent-4-en-2-ol
CID 22149561
(2R,3S)-3-fluoro-1-(4-methylphenyl)sulfonylhex-5-en-2-ol
CID 23255463
hex-5-ene-1,3-diol
CID 15626312
(2S)-1,1,1-trichloropent-4-en-2-ol
CID 54233879
1-trimethylsilylbut-3-en-1-ol
CID 130152388
2-prop-2-enylpropane-1,1,3-triol
CID 87898670
2-prop-2-enylpent-4-en-1-ol
CID 14895210
3-methylhept-6-ene-2,4-diol
CID 66895376
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoropent-4-en-1-ol?
The IUPAC name of 1,2-difluoropent-4-en-1-ol (CID 23129819) is 1,2-difluoropent-4-en-1-ol.
What is the SMILES notation for 1,2-difluoropent-4-en-1-ol?
The canonical SMILES for 1,2-difluoropent-4-en-1-ol is C=CCC(F)C(O)F.
What is the InChIKey of 1,2-difluoropent-4-en-1-ol?
The InChIKey is GPHPRLXZUCPODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-2-3-4(6)5(7)8/h2,4-5,8H,1,3H2.
What are the key properties of 1,2-difluoropent-4-en-1-ol?
1,2-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 1,2-difluoropent-4-en-1-ol is sourced from PubChem (CID 23129819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).