5-hydroxy-5-(trifluoromethyl)furan-2-one

C5H3F3O3 — CID 72697424

IUPAC5-hydroxy-5-(trifluoromethyl)furan-2-one
SMILESO=C1C=CC(O)(C(F)(F)F)O1
InChIInChI=1S/C5H3F3O3/c6-5(7,8)4(10)2-1-3(9)11-4/h1-2,10H
InChIKeyCVDDANHKUCQLOE-UHFFFAOYSA-N
MW168.07 g/mol
LogP0.35
Rot. Bonds

About 5-hydroxy-5-(trifluoromethyl)furan-2-one

5-hydroxy-5-(trifluoromethyl)furan-2-one (PubChem CID 72697424) has the molecular formula C5H3F3O3 and a molecular weight of 168.07 g/mol. Its IUPAC name is 5-hydroxy-5-(trifluoromethyl)furan-2-one.

Molecular Properties

Compound Name5-hydroxy-5-(trifluoromethyl)furan-2-one
PubChem CID72697424
Molecular FormulaC5H3F3O3
Molecular Weight168.07 g/mol
Exact Mass168.00
IUPAC Name5-hydroxy-5-(trifluoromethyl)furan-2-one
SMILESO=C1C=CC(O)(C(F)(F)F)O1
InChIInChI=1S/C5H3F3O3/c6-5(7,8)4(10)2-1-3(9)11-4/h1-2,10H
InChIKeyCVDDANHKUCQLOE-UHFFFAOYSA-N
XLogP0.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.07
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-(trifluoromethyl)furan-2-one?
The IUPAC name of 5-hydroxy-5-(trifluoromethyl)furan-2-one (CID 72697424) is 5-hydroxy-5-(trifluoromethyl)furan-2-one.
What is the SMILES notation for 5-hydroxy-5-(trifluoromethyl)furan-2-one?
The canonical SMILES for 5-hydroxy-5-(trifluoromethyl)furan-2-one is O=C1C=CC(O)(C(F)(F)F)O1.
What is the InChIKey of 5-hydroxy-5-(trifluoromethyl)furan-2-one?
The InChIKey is CVDDANHKUCQLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3O3/c6-5(7,8)4(10)2-1-3(9)11-4/h1-2,10H.
What are the key properties of 5-hydroxy-5-(trifluoromethyl)furan-2-one?
5-hydroxy-5-(trifluoromethyl)furan-2-one has a molecular weight of 168.07 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-(trifluoromethyl)furan-2-one is sourced from PubChem (CID 72697424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).