(4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one

C6H8F2O3 — CID 39871630

IUPAC(4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one
SMILESO=C1C[C@](O)(C(F)F)CCO1
InChIInChI=1S/C6H8F2O3/c7-5(8)6(10)1-2-11-4(9)3-6/h5,10H,1-3H2/t6-/m0/s1
InChIKeyQGYFVANOISWUQI-LURJTMIESA-N
MW166.12 g/mol
LogP0.32
Rot. Bonds1

About (4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one

(4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one (PubChem CID 39871630) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is (4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one
PubChem CID39871630
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name(4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one
SMILESO=C1C[C@](O)(C(F)F)CCO1
InChIInChI=1S/C6H8F2O3/c7-5(8)6(10)1-2-11-4(9)3-6/h5,10H,1-3H2/t6-/m0/s1
InChIKeyQGYFVANOISWUQI-LURJTMIESA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one 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

(4-methyl-2-oxooxan-4-yl) 2-methylpropanoate
CID 71022077
(3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid
CID 45084685
bis[3-(4-hydroxy-2-oxooxan-4-yl)propyl] butanedioate
CID 57010985
(4-methyl-2-oxooxan-4-yl) 3-methyl-2-propan-2-ylbut-2-enoate
CID 70860468
(4-methyl-2-oxooxan-4-yl) formate
CID 54294385
(4-ethyl-2-oxooxan-4-yl) acetate
CID 89198151
5,5-bis(sulfanyl)oxepan-2-one
CID 143272240
2-(6-hydroxy-5,8-dioxo-1,4-dioxocan-6-yl)acetic acid
CID 118194313
1,9-dihydroxy-4,6,12,14,18,20-hexaoxabicyclo[7.7.5]henicosane-3,7,11,15,17,21-hexone
CID 172689316
(4-methyl-2-oxooxan-4-yl) 2-iodo-2-(1λ3-ioda-2,4-diazabicyclo[1.1.0]butan-3-yl)acetate
CID 152945948
3-(difluoromethyl)-1,1-dioxothiolan-3-ol
CID 80605805
3-(chloromethyl)-3-hydroxyoxolan-2-one
CID 55302231

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one?
The IUPAC name of (4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one (CID 39871630) is (4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one.
What is the SMILES notation for (4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one?
The canonical SMILES for (4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one is O=C1C[C@](O)(C(F)F)CCO1.
What is the InChIKey of (4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one?
The InChIKey is QGYFVANOISWUQI-LURJTMIESA-N. The full InChI is InChI=1S/C6H8F2O3/c7-5(8)6(10)1-2-11-4(9)3-6/h5,10H,1-3H2/t6-/m0/s1.
What are the key properties of (4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one?
(4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one has a molecular weight of 166.12 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one is sourced from PubChem (CID 39871630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).