7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran

C17H15F3O — CID 173159803

IUPAC7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
SMILESCc1cccc(C)c1-c1cc(C(F)(F)F)cc2c1OCC2
InChIInChI=1S/C17H15F3O/c1-10-4-3-5-11(2)15(10)14-9-13(17(18,19)20)8-12-6-7-21-16(12)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyPOVJKOLSOOOMFZ-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.92
Rot. Bonds1

About 7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran

7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran (PubChem CID 173159803) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
PubChem CID173159803
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
SMILESCc1cccc(C)c1-c1cc(C(F)(F)F)cc2c1OCC2
InChIInChI=1S/C17H15F3O/c1-10-4-3-5-11(2)15(10)14-9-13(17(18,19)20)8-12-6-7-21-16(12)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyPOVJKOLSOOOMFZ-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117282534
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 153023113
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine
CID 145463664
7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran
CID 173176078
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene
CID 18377956
2-(2-methylphenyl)-5-(trifluoromethyl)aniline
CID 114043492
2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 102031804
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,3-dimethylphenyl)ethanamine
CID 105031528
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 105031480

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran (CID 173159803) is 7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran is Cc1cccc(C)c1-c1cc(C(F)(F)F)cc2c1OCC2.
What is the InChIKey of 7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is POVJKOLSOOOMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-10-4-3-5-11(2)15(10)14-9-13(17(18,19)20)8-12-6-7-21-16(12)14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran?
7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 292.30 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 173159803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).