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

C11H9F3O2 — CID 144706053

IUPAC4-phenyl-5-(trifluoromethyl)oxolan-2-one
SMILESO=C1CC(c2ccccc2)C(C(F)(F)F)O1
InChIInChI=1S/C11H9F3O2/c12-11(13,14)10-8(6-9(15)16-10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
InChIKeyJWCLUNSXAUJFCH-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.65
Rot. Bonds1

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

4-phenyl-5-(trifluoromethyl)oxolan-2-one (PubChem CID 144706053) has the molecular formula C11H9F3O2 and a molecular weight of 230.18 g/mol. Its IUPAC name is 4-phenyl-5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name4-phenyl-5-(trifluoromethyl)oxolan-2-one
PubChem CID144706053
Molecular FormulaC11H9F3O2
Molecular Weight230.18 g/mol
Exact Mass230.06
IUPAC Name4-phenyl-5-(trifluoromethyl)oxolan-2-one
SMILESO=C1CC(c2ccccc2)C(C(F)(F)F)O1
InChIInChI=1S/C11H9F3O2/c12-11(13,14)10-8(6-9(15)16-10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
InChIKeyJWCLUNSXAUJFCH-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one
CID 144706040
5-(bromomethyl)-4-phenyloxolan-2-one
CID 59051964
(4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one
CID 177413972
(4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
CID 11020742
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
4-(4-bromophenyl)-5-phenyloxolan-2-one
CID 144706057
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
CID 15448194
(4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one
CID 131863829
4-phenyl-5-prop-2-enyloxolan-2-one
CID 14448606
(3S,4R,4aR)-7-methyl-4-phenyl-3-(trifluoromethyl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one
CID 134971863
(4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one
CID 102593358

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of 4-phenyl-5-(trifluoromethyl)oxolan-2-one (CID 144706053) is 4-phenyl-5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for 4-phenyl-5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for 4-phenyl-5-(trifluoromethyl)oxolan-2-one is O=C1CC(c2ccccc2)C(C(F)(F)F)O1.
What is the InChIKey of 4-phenyl-5-(trifluoromethyl)oxolan-2-one?
The InChIKey is JWCLUNSXAUJFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2/c12-11(13,14)10-8(6-9(15)16-10)7-4-2-1-3-5-7/h1-5,8,10H,6H2.
What are the key properties of 4-phenyl-5-(trifluoromethyl)oxolan-2-one?
4-phenyl-5-(trifluoromethyl)oxolan-2-one has a molecular weight of 230.18 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 144706053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).