3-fluoropent-4-ene-1,2-diol

C5H9FO2 — CID 14889033

IUPAC3-fluoropent-4-ene-1,2-diol
SMILESC=CC(F)C(O)CO
InChIInChI=1S/C5H9FO2/c1-2-4(6)5(8)3-7/h2,4-5,7-8H,1,3H2
InChIKeySTLACWYUYYHMTB-UHFFFAOYSA-N
MW120.12 g/mol
LogP-0.14
Rot. Bonds3

About 3-fluoropent-4-ene-1,2-diol

3-fluoropent-4-ene-1,2-diol (PubChem CID 14889033) has the molecular formula C5H9FO2 and a molecular weight of 120.12 g/mol. Its IUPAC name is 3-fluoropent-4-ene-1,2-diol.

Molecular Properties

Compound Name3-fluoropent-4-ene-1,2-diol
PubChem CID14889033
Molecular FormulaC5H9FO2
Molecular Weight120.12 g/mol
Exact Mass120.06
IUPAC Name3-fluoropent-4-ene-1,2-diol
SMILESC=CC(F)C(O)CO
InChIInChI=1S/C5H9FO2/c1-2-4(6)5(8)3-7/h2,4-5,7-8H,1,3H2
InChIKeySTLACWYUYYHMTB-UHFFFAOYSA-N
XLogP-0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-fluoropent-4-ene-1,2-diol?
The IUPAC name of 3-fluoropent-4-ene-1,2-diol (CID 14889033) is 3-fluoropent-4-ene-1,2-diol.
What is the SMILES notation for 3-fluoropent-4-ene-1,2-diol?
The canonical SMILES for 3-fluoropent-4-ene-1,2-diol is C=CC(F)C(O)CO.
What is the InChIKey of 3-fluoropent-4-ene-1,2-diol?
The InChIKey is STLACWYUYYHMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2/c1-2-4(6)5(8)3-7/h2,4-5,7-8H,1,3H2.
What are the key properties of 3-fluoropent-4-ene-1,2-diol?
3-fluoropent-4-ene-1,2-diol has a molecular weight of 120.12 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropent-4-ene-1,2-diol is sourced from PubChem (CID 14889033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).