3,3-difluorooxan-2-one

C5H6F2O2 — CID 66730031

IUPAC3,3-difluorooxan-2-one
SMILESO=C1OCCCC1(F)F
InChIInChI=1S/C5H6F2O2/c6-5(7)2-1-3-9-4(5)8/h1-3H2
InChIKeyZWVZRNVREFGXDQ-UHFFFAOYSA-N
MW136.10 g/mol
LogP0.96
Rot. Bonds

About 3,3-difluorooxan-2-one

3,3-difluorooxan-2-one (PubChem CID 66730031) has the molecular formula C5H6F2O2 and a molecular weight of 136.10 g/mol. Its IUPAC name is 3,3-difluorooxan-2-one.

Molecular Properties

Compound Name3,3-difluorooxan-2-one
PubChem CID66730031
Molecular FormulaC5H6F2O2
Molecular Weight136.10 g/mol
Exact Mass136.03
IUPAC Name3,3-difluorooxan-2-one
SMILESO=C1OCCCC1(F)F
InChIInChI=1S/C5H6F2O2/c6-5(7)2-1-3-9-4(5)8/h1-3H2
InChIKeyZWVZRNVREFGXDQ-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-difluorooxan-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

Delta-Valerolactone
CID 10953
Ethyl perfluoropentanoate
CID 526456
Ethyl 3,3,4,4,5,5,5-heptafluoropentanoate
CID 89300914
Ethyl 4,4-difluoropentanoate
CID 12696174
2,2,2-Trifluoroethyl pentanoate
CID 12643287
Ethyl 5H-Octafluorovalerate
CID 2737223
Ethyl 2,2-difluoropentanoate
CID 15135339
3,3-Difluorooxane-2,6-dione
CID 53956637
4,4-Difluorooxane-2,6-dione
CID 89119356
Ethyl 3,3-difluoropentanoate
CID 12927202
3-Fluorooxan-2-one
CID 23349513
2,2,3,3,4,4,5,5-Octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 134871742

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorooxan-2-one?
The IUPAC name of 3,3-difluorooxan-2-one (CID 66730031) is 3,3-difluorooxan-2-one.
What is the SMILES notation for 3,3-difluorooxan-2-one?
The canonical SMILES for 3,3-difluorooxan-2-one is O=C1OCCCC1(F)F.
What is the InChIKey of 3,3-difluorooxan-2-one?
The InChIKey is ZWVZRNVREFGXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O2/c6-5(7)2-1-3-9-4(5)8/h1-3H2.
What are the key properties of 3,3-difluorooxan-2-one?
3,3-difluorooxan-2-one has a molecular weight of 136.10 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorooxan-2-one is sourced from PubChem (CID 66730031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).