(3-fluoro-2-hydroxypropyl) acetate

C5H9FO3 — CID 130125053

IUPAC(3-fluoro-2-hydroxypropyl) acetate
SMILESCC(=O)OCC(O)CF
InChIInChI=1S/C5H9FO3/c1-4(7)9-3-5(8)2-6/h5,8H,2-3H2,1H3
InChIKeyJWADISGGUQGACG-UHFFFAOYSA-N
MW136.12 g/mol
LogP-0.12
Rot. Bonds3

About (3-fluoro-2-hydroxypropyl) acetate

(3-fluoro-2-hydroxypropyl) acetate (PubChem CID 130125053) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is (3-fluoro-2-hydroxypropyl) acetate.

Molecular Properties

Compound Name(3-fluoro-2-hydroxypropyl) acetate
PubChem CID130125053
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name(3-fluoro-2-hydroxypropyl) acetate
SMILESCC(=O)OCC(O)CF
InChIInChI=1S/C5H9FO3/c1-4(7)9-3-5(8)2-6/h5,8H,2-3H2,1H3
InChIKeyJWADISGGUQGACG-UHFFFAOYSA-N
XLogP-0.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-fluoro-2-hydroxypropyl) acetate 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

copper;2,3-dihydroxypropyl acetate
CID 175414462
2,6-dihydroxyoctyl acetate
CID 58013533
(5-acetyloxy-4-hydroxypentyl) acetate
CID 74929582
3-acetyloxy-2-hydroxypropane-1-sulfonic acid
CID 20821763
2-hydroxypropyl acetate;mercury
CID 174858394
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
CID 102116245
[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
CID 153447851
(5S)-6-acetyloxy-5-hydroxy-3-oxohexanoic acid
CID 150789259
(3-butan-2-yloxy-2-hydroxypropyl) acetate
CID 134215732
2-hydroxytridecyl acetate
CID 170716401
(2-chloro-3-oxobutyl) acetate
CID 45120062
ethyl acetate;methanol
CID 173029748

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-hydroxypropyl) acetate?
The IUPAC name of (3-fluoro-2-hydroxypropyl) acetate (CID 130125053) is (3-fluoro-2-hydroxypropyl) acetate.
What is the SMILES notation for (3-fluoro-2-hydroxypropyl) acetate?
The canonical SMILES for (3-fluoro-2-hydroxypropyl) acetate is CC(=O)OCC(O)CF.
What is the InChIKey of (3-fluoro-2-hydroxypropyl) acetate?
The InChIKey is JWADISGGUQGACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3/c1-4(7)9-3-5(8)2-6/h5,8H,2-3H2,1H3.
What are the key properties of (3-fluoro-2-hydroxypropyl) acetate?
(3-fluoro-2-hydroxypropyl) acetate has a molecular weight of 136.12 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-hydroxypropyl) acetate is sourced from PubChem (CID 130125053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).