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

C16H13F3O — CID 174539381

IUPAC2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1
InChIInChI=1S/C16H13F3O/c1-10-9-11-5-4-7-13(15(11)20-10)12-6-2-3-8-14(12)16(17,18)19/h2-8,10H,9H2,1H3
InChIKeyRTHBFSAXBBODLA-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.70
Rot. Bonds1

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

2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran (PubChem CID 174539381) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
PubChem CID174539381
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1
InChIInChI=1S/C16H13F3O/c1-10-9-11-5-4-7-13(15(11)20-10)12-6-2-3-8-14(12)16(17,18)19/h2-8,10H,9H2,1H3
InChIKeyRTHBFSAXBBODLA-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran (CID 174539381) is 2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran is CC1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1.
What is the InChIKey of 2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran?
The InChIKey is RTHBFSAXBBODLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c1-10-9-11-5-4-7-13(15(11)20-10)12-6-2-3-8-14(12)16(17,18)19/h2-8,10H,9H2,1H3.
What are the key properties of 2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran?
2-methyl-7-[2-(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-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 174539381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).