6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran

C17H13F3O — CID 175426427

IUPAC6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran
SMILESCc1ccc2c(-c3ccccc3)c(C(F)C(F)F)oc2c1
InChIInChI=1S/C17H13F3O/c1-10-7-8-12-13(9-10)21-16(15(18)17(19)20)14(12)11-5-3-2-4-6-11/h2-9,15,17H,1H3
InChIKeyZXSRXDMCDXPQHE-UHFFFAOYSA-N
MW290.28 g/mol
LogP5.68
Rot. Bonds3

About 6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran

6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran (PubChem CID 175426427) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is 6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran.

Molecular Properties

Compound Name6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran
PubChem CID175426427
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran
SMILESCc1ccc2c(-c3ccccc3)c(C(F)C(F)F)oc2c1
InChIInChI=1S/C17H13F3O/c1-10-7-8-12-13(9-10)21-16(15(18)17(19)20)14(12)11-5-3-2-4-6-11/h2-9,15,17H,1H3
InChIKeyZXSRXDMCDXPQHE-UHFFFAOYSA-N
XLogP5.68
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.28
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzofuran
CID 568
2,3-Dimethylbenzofuran
CID 2734646
2-Methylbenzofuran
CID 20263
2,5-Diphenylfuran
CID 70387
Benzo(b)naphtho(2,3-d)furan
CID 71072
2-Benzoylbenzofuran
CID 95808
Benzofurans
CID 253613
2-Phenyl-benzofuran
CID 3517936
Dibenzofuran, 4-methyl-
CID 43489
4,7-Dimethylbenzofuran
CID 33109
4'-(2-Butyl-benzofuran-3-yl)-biphenyl-4-ol
CID 10854796
Benzofuran-2-yl(p-tolyl)methanone
CID 935764

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran?
The IUPAC name of 6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran (CID 175426427) is 6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran.
What is the SMILES notation for 6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran?
The canonical SMILES for 6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran is Cc1ccc2c(-c3ccccc3)c(C(F)C(F)F)oc2c1.
What is the InChIKey of 6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran?
The InChIKey is ZXSRXDMCDXPQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O/c1-10-7-8-12-13(9-10)21-16(15(18)17(19)20)14(12)11-5-3-2-4-6-11/h2-9,15,17H,1H3.
What are the key properties of 6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran?
6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran has a molecular weight of 290.28 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran is sourced from PubChem (CID 175426427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).