3-fluoro-2-methylbut-3-en-2-ol

C5H9FO — CID 119096236

IUPAC3-fluoro-2-methylbut-3-en-2-ol
SMILESC=C(F)C(C)(C)O
InChIInChI=1S/C5H9FO/c1-4(6)5(2,3)7/h7H,1H2,2-3H3
InChIKeyQWAOKPDTHYQASW-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.24
Rot. Bonds1

About 3-fluoro-2-methylbut-3-en-2-ol

3-fluoro-2-methylbut-3-en-2-ol (PubChem CID 119096236) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 3-fluoro-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name3-fluoro-2-methylbut-3-en-2-ol
PubChem CID119096236
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name3-fluoro-2-methylbut-3-en-2-ol
SMILESC=C(F)C(C)(C)O
InChIInChI=1S/C5H9FO/c1-4(6)5(2,3)7/h7H,1H2,2-3H3
InChIKeyQWAOKPDTHYQASW-UHFFFAOYSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-2-methylbut-3-en-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylbut-3-en-2-ol?
The IUPAC name of 3-fluoro-2-methylbut-3-en-2-ol (CID 119096236) is 3-fluoro-2-methylbut-3-en-2-ol.
What is the SMILES notation for 3-fluoro-2-methylbut-3-en-2-ol?
The canonical SMILES for 3-fluoro-2-methylbut-3-en-2-ol is C=C(F)C(C)(C)O.
What is the InChIKey of 3-fluoro-2-methylbut-3-en-2-ol?
The InChIKey is QWAOKPDTHYQASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-4(6)5(2,3)7/h7H,1H2,2-3H3.
What are the key properties of 3-fluoro-2-methylbut-3-en-2-ol?
3-fluoro-2-methylbut-3-en-2-ol has a molecular weight of 104.12 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylbut-3-en-2-ol is sourced from PubChem (CID 119096236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).