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

C5H3F3O2 — CID 10419364

IUPAC2-(trifluoromethyl)-2H-furan-5-one
SMILESO=C1C=CC(C(F)(F)F)O1
InChIInChI=1S/C5H3F3O2/c6-5(7,8)3-1-2-4(9)10-3/h1-3H
InChIKeyYMIVQORRFGTHJR-UHFFFAOYSA-N
MW152.07 g/mol
LogP1.03
Rot. Bonds

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

2-(trifluoromethyl)-2H-furan-5-one (PubChem CID 10419364) has the molecular formula C5H3F3O2 and a molecular weight of 152.07 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-2H-furan-5-one
PubChem CID10419364
Molecular FormulaC5H3F3O2
Molecular Weight152.07 g/mol
Exact Mass152.01
IUPAC Name2-(trifluoromethyl)-2H-furan-5-one
SMILESO=C1C=CC(C(F)(F)F)O1
InChIInChI=1S/C5H3F3O2/c6-5(7,8)3-1-2-4(9)10-3/h1-3H
InChIKeyYMIVQORRFGTHJR-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2H-furan-5-one?
The IUPAC name of 2-(trifluoromethyl)-2H-furan-5-one (CID 10419364) is 2-(trifluoromethyl)-2H-furan-5-one.
What is the SMILES notation for 2-(trifluoromethyl)-2H-furan-5-one?
The canonical SMILES for 2-(trifluoromethyl)-2H-furan-5-one is O=C1C=CC(C(F)(F)F)O1.
What is the InChIKey of 2-(trifluoromethyl)-2H-furan-5-one?
The InChIKey is YMIVQORRFGTHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3O2/c6-5(7,8)3-1-2-4(9)10-3/h1-3H.
What are the key properties of 2-(trifluoromethyl)-2H-furan-5-one?
2-(trifluoromethyl)-2H-furan-5-one has a molecular weight of 152.07 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2H-furan-5-one is sourced from PubChem (CID 10419364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).