5-(trifluoromethyl)oxolan-2-one

C5H5F3O2 — CID 13350499

IUPAC5-(trifluoromethyl)oxolan-2-one
SMILESO=C1CCC(C(F)(F)F)O1
InChIInChI=1S/C5H5F3O2/c6-5(7,8)3-1-2-4(9)10-3/h3H,1-2H2
InChIKeyGNKPTBKNJXNUTC-UHFFFAOYSA-N
MW154.09 g/mol
LogP1.25
Rot. Bonds

About 5-(trifluoromethyl)oxolan-2-one

5-(trifluoromethyl)oxolan-2-one (PubChem CID 13350499) has the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is 5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(trifluoromethyl)oxolan-2-one
PubChem CID13350499
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name5-(trifluoromethyl)oxolan-2-one
SMILESO=C1CCC(C(F)(F)F)O1
InChIInChI=1S/C5H5F3O2/c6-5(7,8)3-1-2-4(9)10-3/h3H,1-2H2
InChIKeyGNKPTBKNJXNUTC-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-3-(trifluoromethyl)oxolan-2-one
CID 2734015
3,3-Difluoro-5-(iodomethyl)oxolan-2-one
CID 49793725
5-(Fluoromethyl)oxolan-2-one
CID 230077
5-(2,2,2-Trifluoroethyl)tetrahydrofuran-2-one
CID 58421231
4-Trifluoroacetoxymethyl-4-butanolide
CID 129812714
(5R)-5-(2,2,2-trifluoroethyl)oxolan-2-one
CID 155934473
(5R)-Dihydro-5-(trifluoromethyl)-2(3H)-furanone
CID 10796954
(5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one
CID 10921609
Ndfjgwdbeijfou-uhfffaoysa-
CID 21604718
4-Methyl-5-(trifluoromethyl)oxolan-2-one
CID 13350500
(5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one
CID 59891002
5-(Difluoromethyl)oxolan-2-one
CID 60084175

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of 5-(trifluoromethyl)oxolan-2-one (CID 13350499) is 5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for 5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for 5-(trifluoromethyl)oxolan-2-one is O=C1CCC(C(F)(F)F)O1.
What is the InChIKey of 5-(trifluoromethyl)oxolan-2-one?
The InChIKey is GNKPTBKNJXNUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2/c6-5(7,8)3-1-2-4(9)10-3/h3H,1-2H2.
What are the key properties of 5-(trifluoromethyl)oxolan-2-one?
5-(trifluoromethyl)oxolan-2-one has a molecular weight of 154.09 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 13350499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).