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

C10H4F6O2 — CID 15146487

IUPAC3,3-bis(trifluoromethyl)-2-benzofuran-1-one
SMILESO=C1OC(C(F)(F)F)(C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H4F6O2/c11-9(12,13)8(10(14,15)16)6-4-2-1-3-5(6)7(17)18-8/h1-4H
InChIKeyPAWCDRHSODJVFE-UHFFFAOYSA-N
MW270.13 g/mol
LogP3.18
Rot. Bonds

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

3,3-bis(trifluoromethyl)-2-benzofuran-1-one (PubChem CID 15146487) has the molecular formula C10H4F6O2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 3,3-bis(trifluoromethyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3,3-bis(trifluoromethyl)-2-benzofuran-1-one
PubChem CID15146487
Molecular FormulaC10H4F6O2
Molecular Weight270.13 g/mol
Exact Mass270.01
IUPAC Name3,3-bis(trifluoromethyl)-2-benzofuran-1-one
SMILESO=C1OC(C(F)(F)F)(C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H4F6O2/c11-9(12,13)8(10(14,15)16)6-4-2-1-3-5(6)7(17)18-8/h1-4H
InChIKeyPAWCDRHSODJVFE-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(trifluoromethyl)-2-benzofuran-1-one?
The IUPAC name of 3,3-bis(trifluoromethyl)-2-benzofuran-1-one (CID 15146487) is 3,3-bis(trifluoromethyl)-2-benzofuran-1-one.
What is the SMILES notation for 3,3-bis(trifluoromethyl)-2-benzofuran-1-one?
The canonical SMILES for 3,3-bis(trifluoromethyl)-2-benzofuran-1-one is O=C1OC(C(F)(F)F)(C(F)(F)F)c2ccccc21.
What is the InChIKey of 3,3-bis(trifluoromethyl)-2-benzofuran-1-one?
The InChIKey is PAWCDRHSODJVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6O2/c11-9(12,13)8(10(14,15)16)6-4-2-1-3-5(6)7(17)18-8/h1-4H.
What are the key properties of 3,3-bis(trifluoromethyl)-2-benzofuran-1-one?
3,3-bis(trifluoromethyl)-2-benzofuran-1-one has a molecular weight of 270.13 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(trifluoromethyl)-2-benzofuran-1-one is sourced from PubChem (CID 15146487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).