7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid

C10H7F3O3 — CID 83397186

IUPAC7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)C1Cc2cccc(C(F)(F)F)c2O1
InChIInChI=1S/C10H7F3O3/c11-10(12,13)6-3-1-2-5-4-7(9(14)15)16-8(5)6/h1-3,7H,4H2,(H,14,15)
InChIKeyNUYFKIXVHIQJHT-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.09
Rot. Bonds1

About 7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid

7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid (PubChem CID 83397186) has the molecular formula C10H7F3O3 and a molecular weight of 232.16 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid
PubChem CID83397186
Molecular FormulaC10H7F3O3
Molecular Weight232.16 g/mol
Exact Mass232.03
IUPAC Name7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)C1Cc2cccc(C(F)(F)F)c2O1
InChIInChI=1S/C10H7F3O3/c11-10(12,13)6-3-1-2-5-4-7(9(14)15)16-8(5)6/h1-3,7H,4H2,(H,14,15)
InChIKeyNUYFKIXVHIQJHT-UHFFFAOYSA-N
XLogP2.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 86317091
9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
CID 83672503
3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 43150160
1-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydroisochromene-3-carboxamide
CID 5111630
8-fluoro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22638962
tert-butyl 7-fluoro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 135394558
3-methyl-8-(trifluoromethyl)-2,4-dihydrochromene-3-carboxylic acid
CID 115048578
5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid
CID 71756298
2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
CID 174539381
N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 46090263
8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 117051012
(2S)-1-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 129415567

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid (CID 83397186) is 7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid is O=C(O)C1Cc2cccc(C(F)(F)F)c2O1.
What is the InChIKey of 7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The InChIKey is NUYFKIXVHIQJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O3/c11-10(12,13)6-3-1-2-5-4-7(9(14)15)16-8(5)6/h1-3,7H,4H2,(H,14,15).
What are the key properties of 7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid?
7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid has a molecular weight of 232.16 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 83397186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).