5-[4-(trifluoromethyl)phenyl]oxolan-2-one

C11H9F3O2 — CID 72765698

IUPAC5-[4-(trifluoromethyl)phenyl]oxolan-2-one
SMILESO=C1CCC(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C11H9F3O2/c12-11(13,14)8-3-1-7(2-4-8)9-5-6-10(15)16-9/h1-4,9H,5-6H2
InChIKeyRPFYIFFKAAVFKZ-UHFFFAOYSA-N
MW230.18 g/mol
LogP3.08
Rot. Bonds1

About 5-[4-(trifluoromethyl)phenyl]oxolan-2-one

5-[4-(trifluoromethyl)phenyl]oxolan-2-one (PubChem CID 72765698) has the molecular formula C11H9F3O2 and a molecular weight of 230.18 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]oxolan-2-one.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]oxolan-2-one
PubChem CID72765698
Molecular FormulaC11H9F3O2
Molecular Weight230.18 g/mol
Exact Mass230.06
IUPAC Name5-[4-(trifluoromethyl)phenyl]oxolan-2-one
SMILESO=C1CCC(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C11H9F3O2/c12-11(13,14)8-3-1-7(2-4-8)9-5-6-10(15)16-9/h1-4,9H,5-6H2
InChIKeyRPFYIFFKAAVFKZ-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

gamma-Phenyl-gamma-butyrolactone
CID 13884
5-Naphthalen-2-yloxolan-2-one
CID 252693
Ethyl 4-(trifluoromethyl)benzoate
CID 521827
(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-methylphenyl)-2H-furan-5-one
CID 122662616
(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-ethylphenyl)-2H-furan-5-one
CID 122662641
2(3H)-Furanone, dihydro-3-methylene-5-phenyl-
CID 176437
Incrustoporin
CID 506553
2-Furoic acid, tetrahydro-5-oxo-2-phenyl-, methyl ester
CID 123302
4-Acetyl-5-phenyloxolan-2-one
CID 3040835
1-Phenylethyl hexanoate
CID 103018
Benzenemethanol, alpha,4-dimethyl-, 1-acetate
CID 89214
(2S,3R)-3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one
CID 16725263

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]oxolan-2-one?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]oxolan-2-one (CID 72765698) is 5-[4-(trifluoromethyl)phenyl]oxolan-2-one.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]oxolan-2-one?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]oxolan-2-one is O=C1CCC(c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]oxolan-2-one?
The InChIKey is RPFYIFFKAAVFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2/c12-11(13,14)8-3-1-7(2-4-8)9-5-6-10(15)16-9/h1-4,9H,5-6H2.
What are the key properties of 5-[4-(trifluoromethyl)phenyl]oxolan-2-one?
5-[4-(trifluoromethyl)phenyl]oxolan-2-one has a molecular weight of 230.18 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]oxolan-2-one is sourced from PubChem (CID 72765698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).