2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C7H11FO3 — CID 175951374

IUPAC2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESC=CC1(CO)OCC(F)C1O
InChIInChI=1S/C7H11FO3/c1-2-7(4-9)6(10)5(8)3-11-7/h2,5-6,9-10H,1,3-4H2
InChIKeyCQMWEQDZTCHVSV-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.37
Rot. Bonds2

About 2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 175951374) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID175951374
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESC=CC1(CO)OCC(F)C1O
InChIInChI=1S/C7H11FO3/c1-2-7(4-9)6(10)5(8)3-11-7/h2,5-6,9-10H,1,3-4H2
InChIKeyCQMWEQDZTCHVSV-UHFFFAOYSA-N
XLogP-0.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 175951374) is 2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is C=CC1(CO)OCC(F)C1O.
What is the InChIKey of 2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is CQMWEQDZTCHVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-2-7(4-9)6(10)5(8)3-11-7/h2,5-6,9-10H,1,3-4H2.
What are the key properties of 2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 162.16 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 175951374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).