2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide

C11H10F3NO2 — CID 10933752

IUPAC2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide
SMILESCC1(NC(=O)C(F)(F)F)Cc2ccccc2O1
InChIInChI=1S/C11H10F3NO2/c1-10(15-9(16)11(12,13)14)6-7-4-2-3-5-8(7)17-10/h2-5H,6H2,1H3,(H,15,16)
InChIKeyUHWUJOSYOUVBCD-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.02
Rot. Bonds1

About 2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide

2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide (PubChem CID 10933752) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide
PubChem CID10933752
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide
SMILESCC1(NC(=O)C(F)(F)F)Cc2ccccc2O1
InChIInChI=1S/C11H10F3NO2/c1-10(15-9(16)11(12,13)14)6-7-4-2-3-5-8(7)17-10/h2-5H,6H2,1H3,(H,15,16)
InChIKeyUHWUJOSYOUVBCD-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trichloro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide
CID 102188919
2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide
CID 22499214
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,2-trifluoroethanone
CID 81429341
trans-(1R,2S)-2-methyl-2-phenyl-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid
CID 178194698
2-(bromomethyl)-3H-1-benzofuran-2-carboxylic acid
CID 66688048
2-tert-butyl-3H-1-benzofuran-2-carbaldehyde
CID 117046047
N-[(4aS,9bR)-4-cyano-2,3,4,9b-tetrahydro-1H-dibenzofuran-4a-yl]-2,2,2-trifluoroacetamide
CID 101458240
1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
CID 172679993
spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran
CID 14710488
methyl 2,3-dihydro-1-benzofuran-2-carboxylate;methyl 2-methyl-3H-1-benzofuran-2-carboxylate
CID 160696115
(2S)-2-benzyl-2-methyl-3H-1-benzofuran
CID 134955555

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide (CID 10933752) is 2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide is CC1(NC(=O)C(F)(F)F)Cc2ccccc2O1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide?
The InChIKey is UHWUJOSYOUVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-10(15-9(16)11(12,13)14)6-7-4-2-3-5-8(7)17-10/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide?
2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide has a molecular weight of 245.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methyl-3H-1-benzofuran-2-yl)acetamide is sourced from PubChem (CID 10933752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).