2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran

C16H13F3O — CID 151016098

IUPAC2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2O1
InChIInChI=1S/C16H13F3O/c1-10-9-12-3-2-4-14(15(12)20-10)11-5-7-13(8-6-11)16(17,18)19/h2-8,10H,9H2,1H3
InChIKeyLXCLCEUGASEMMO-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.70
Rot. Bonds1

About 2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran

2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran (PubChem CID 151016098) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
PubChem CID151016098
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2O1
InChIInChI=1S/C16H13F3O/c1-10-9-12-3-2-4-14(15(12)20-10)11-5-7-13(8-6-11)16(17,18)19/h2-8,10H,9H2,1H3
InChIKeyLXCLCEUGASEMMO-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 143159059
2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
CID 174539381
7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108804
7-(2,4-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108495
benzyl N-[[7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 86599100
5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran
CID 69297038
7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108156
1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine
CID 15643774
4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene
CID 160681776
7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one
CID 15315314
7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one
CID 158263726
7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 174539394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran (CID 151016098) is 2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran is CC1Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2O1.
What is the InChIKey of 2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran?
The InChIKey is LXCLCEUGASEMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c1-10-9-12-3-2-4-14(15(12)20-10)11-5-7-13(8-6-11)16(17,18)19/h2-8,10H,9H2,1H3.
What are the key properties of 2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran?
2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran has a molecular weight of 278.27 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 151016098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).