2,2-bis(trifluoromethyl)-1-benzofuran-3-one

C10H4F6O2 — CID 13384251

IUPAC2,2-bis(trifluoromethyl)-1-benzofuran-3-one
SMILESO=C1c2ccccc2OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F6O2/c11-9(12,13)8(10(14,15)16)7(17)5-3-1-2-4-6(5)18-8/h1-4H
InChIKeyQCMSWFIUGKYNHB-UHFFFAOYSA-N
MW270.13 g/mol
LogP3.13
Rot. Bonds

About 2,2-bis(trifluoromethyl)-1-benzofuran-3-one

2,2-bis(trifluoromethyl)-1-benzofuran-3-one (PubChem CID 13384251) has the molecular formula C10H4F6O2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2,2-bis(trifluoromethyl)-1-benzofuran-3-one.

Molecular Properties

Compound Name2,2-bis(trifluoromethyl)-1-benzofuran-3-one
PubChem CID13384251
Molecular FormulaC10H4F6O2
Molecular Weight270.13 g/mol
Exact Mass270.01
IUPAC Name2,2-bis(trifluoromethyl)-1-benzofuran-3-one
SMILESO=C1c2ccccc2OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F6O2/c11-9(12,13)8(10(14,15)16)7(17)5-3-1-2-4-6(5)18-8/h1-4H
InChIKeyQCMSWFIUGKYNHB-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-bis(trifluoromethyl)-2-benzofuran-1-one
CID 15146487
3,3-difluoro-2H-chromen-4-one
CID 156711266
2-methoxy-2-methyl-1-benzofuran-3-one
CID 13400306
(2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one
CID 139129040
3-bromo-4-oxo-2,3-diphenylchromen-2-olate
CID 134840633
3,3-dichlorospiro[chromene-2,1'-cyclohexane]-4-one
CID 11140652
2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 154448945
3-methyl-3-sulfanyl-2H-chromen-4-one
CID 174301602
2,2-ditert-butyl-3-methyl-1,3-benzoxazin-4-one
CID 58564303
2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one
CID 1478538
(2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol
CID 7285232
CID 10939991
CID 10939991

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(trifluoromethyl)-1-benzofuran-3-one?
The IUPAC name of 2,2-bis(trifluoromethyl)-1-benzofuran-3-one (CID 13384251) is 2,2-bis(trifluoromethyl)-1-benzofuran-3-one.
What is the SMILES notation for 2,2-bis(trifluoromethyl)-1-benzofuran-3-one?
The canonical SMILES for 2,2-bis(trifluoromethyl)-1-benzofuran-3-one is O=C1c2ccccc2OC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2-bis(trifluoromethyl)-1-benzofuran-3-one?
The InChIKey is QCMSWFIUGKYNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6O2/c11-9(12,13)8(10(14,15)16)7(17)5-3-1-2-4-6(5)18-8/h1-4H.
What are the key properties of 2,2-bis(trifluoromethyl)-1-benzofuran-3-one?
2,2-bis(trifluoromethyl)-1-benzofuran-3-one has a molecular weight of 270.13 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(trifluoromethyl)-1-benzofuran-3-one is sourced from PubChem (CID 13384251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).