5-(trifluoromethyl)-3H-furan-2-one

C5H3F3O2 — CID 67880347

IUPAC5-(trifluoromethyl)-3H-furan-2-one
SMILESO=C1CC=C(C(F)(F)F)O1
InChIInChI=1S/C5H3F3O2/c6-5(7,8)3-1-2-4(9)10-3/h1H,2H2
InChIKeyPAYFZGTWKZIYOO-UHFFFAOYSA-N
MW152.07 g/mol
LogP1.38
Rot. Bonds

About 5-(trifluoromethyl)-3H-furan-2-one

5-(trifluoromethyl)-3H-furan-2-one (PubChem CID 67880347) has the molecular formula C5H3F3O2 and a molecular weight of 152.07 g/mol. Its IUPAC name is 5-(trifluoromethyl)-3H-furan-2-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-3H-furan-2-one
PubChem CID67880347
Molecular FormulaC5H3F3O2
Molecular Weight152.07 g/mol
Exact Mass152.01
IUPAC Name5-(trifluoromethyl)-3H-furan-2-one
SMILESO=C1CC=C(C(F)(F)F)O1
InChIInChI=1S/C5H3F3O2/c6-5(7,8)3-1-2-4(9)10-3/h1H,2H2
InChIKeyPAYFZGTWKZIYOO-UHFFFAOYSA-N
XLogP1.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-3H-furan-2-one?
The IUPAC name of 5-(trifluoromethyl)-3H-furan-2-one (CID 67880347) is 5-(trifluoromethyl)-3H-furan-2-one.
What is the SMILES notation for 5-(trifluoromethyl)-3H-furan-2-one?
The canonical SMILES for 5-(trifluoromethyl)-3H-furan-2-one is O=C1CC=C(C(F)(F)F)O1.
What is the InChIKey of 5-(trifluoromethyl)-3H-furan-2-one?
The InChIKey is PAYFZGTWKZIYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3O2/c6-5(7,8)3-1-2-4(9)10-3/h1H,2H2.
What are the key properties of 5-(trifluoromethyl)-3H-furan-2-one?
5-(trifluoromethyl)-3H-furan-2-one has a molecular weight of 152.07 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-3H-furan-2-one is sourced from PubChem (CID 67880347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).