6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran

C10H9F3O — CID 147841053

IUPAC6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran
SMILESCc1ccc2c(c1)C(C(F)(F)F)OC2
InChIInChI=1S/C10H9F3O/c1-6-2-3-7-5-14-9(8(7)4-6)10(11,12)13/h2-4,9H,5H2,1H3
InChIKeyHSZCQGDGTAVYOU-UHFFFAOYSA-N
MW202.17 g/mol
LogP3.13
Rot. Bonds

About 6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran

6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran (PubChem CID 147841053) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran
PubChem CID147841053
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran
SMILESCc1ccc2c(c1)C(C(F)(F)F)OC2
InChIInChI=1S/C10H9F3O/c1-6-2-3-7-5-14-9(8(7)4-6)10(11,12)13/h2-4,9H,5H2,1H3
InChIKeyHSZCQGDGTAVYOU-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Dihydroisobenzofuran
CID 10327
1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
CID 9856159
2-[4-(Trifluoromethyl)phenyl]oxirane
CID 9990016
3,4-Dimethylstyrene oxide
CID 159631
1,4-Dihydro-1,4-epoxynaphthalene
CID 97139
p-(Trifluoromethyl)benzyl tert-butyl ether
CID 85980196
2-Methyl-2-[4-(trifluoromethyl)phenyl]oxirane
CID 16735287
(1,3-Dihydro-2-benzofuran-5-yl)methanol
CID 19809558
5-(Bromomethyl)-1,3-dihydro-2-benzofuran
CID 58200106
methyl (2Z)-2-(5-methyl-3H-2-benzofuran-1-ylidene)acetate
CID 53384047
methyl (2Z)-2-(6-methyl-3H-2-benzofuran-1-ylidene)acetate
CID 53384048
1,1,3,3-Tetrafluoro-1,3-dihydroisobenzofuran
CID 11805545

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran (CID 147841053) is 6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran is Cc1ccc2c(c1)C(C(F)(F)F)OC2.
What is the InChIKey of 6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
The InChIKey is HSZCQGDGTAVYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-6-2-3-7-5-14-9(8(7)4-6)10(11,12)13/h2-4,9H,5H2,1H3.
What are the key properties of 6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran has a molecular weight of 202.17 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 147841053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).