3,3,4-trifluorooxolan-2-one

C4H3F3O2 — CID 86218862

IUPAC3,3,4-trifluorooxolan-2-one
SMILESO=C1OCC(F)C1(F)F
InChIInChI=1S/C4H3F3O2/c5-2-1-9-3(8)4(2,6)7/h2H,1H2
InChIKeyANSPJEJTARPUKU-UHFFFAOYSA-N
MW140.06 g/mol
LogP0.52
Rot. Bonds

About 3,3,4-trifluorooxolan-2-one

3,3,4-trifluorooxolan-2-one (PubChem CID 86218862) has the molecular formula C4H3F3O2 and a molecular weight of 140.06 g/mol. Its IUPAC name is 3,3,4-trifluorooxolan-2-one.

Molecular Properties

Compound Name3,3,4-trifluorooxolan-2-one
PubChem CID86218862
Molecular FormulaC4H3F3O2
Molecular Weight140.06 g/mol
Exact Mass140.01
IUPAC Name3,3,4-trifluorooxolan-2-one
SMILESO=C1OCC(F)C1(F)F
InChIInChI=1S/C4H3F3O2/c5-2-1-9-3(8)4(2,6)7/h2H,1H2
InChIKeyANSPJEJTARPUKU-UHFFFAOYSA-N
XLogP0.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.06
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one
CID 58957406
4-amino-3,3-dimethyloxolan-2-one
CID 59657819
4-fluorooxolan-2-one
CID 11480406
(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
CID 10997077
(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
CID 172774171
CID 172774171
(1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 102139775
(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one
CID 22887091
(1R,5R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one
CID 15389012
(1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one
CID 67594160
1-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
CID 158344420
(3R,4R)-4-fluoro-3-hydroxyoxolan-2-one
CID 131176048

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluorooxolan-2-one?
The IUPAC name of 3,3,4-trifluorooxolan-2-one (CID 86218862) is 3,3,4-trifluorooxolan-2-one.
What is the SMILES notation for 3,3,4-trifluorooxolan-2-one?
The canonical SMILES for 3,3,4-trifluorooxolan-2-one is O=C1OCC(F)C1(F)F.
What is the InChIKey of 3,3,4-trifluorooxolan-2-one?
The InChIKey is ANSPJEJTARPUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O2/c5-2-1-9-3(8)4(2,6)7/h2H,1H2.
What are the key properties of 3,3,4-trifluorooxolan-2-one?
3,3,4-trifluorooxolan-2-one has a molecular weight of 140.06 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluorooxolan-2-one is sourced from PubChem (CID 86218862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).