2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one

C12H10F3NO2 — CID 114737015

IUPAC2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC(N)(C(=O)c1cc2ccccc2o1)C(F)(F)F
InChIInChI=1S/C12H10F3NO2/c1-11(16,12(13,14)15)10(17)9-6-7-4-2-3-5-8(7)18-9/h2-6H,16H2,1H3
InChIKeyRNWIYCWPBNSQHX-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.90
Rot. Bonds2

About 2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one

2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one (PubChem CID 114737015) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
PubChem CID114737015
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC(N)(C(=O)c1cc2ccccc2o1)C(F)(F)F
InChIInChI=1S/C12H10F3NO2/c1-11(16,12(13,14)15)10(17)9-6-7-4-2-3-5-8(7)18-9/h2-6H,16H2,1H3
InChIKeyRNWIYCWPBNSQHX-UHFFFAOYSA-N
XLogP2.90
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
ethyl 3-(1-benzofuran-2-yl)-2,2-difluoro-3-oxopropanoate
CID 63089558
1-(1-benzofuran-2-yl)ethanone
CID 15435
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran
CID 134858852
2-(1-benzofuran-2-carbonylamino)-2-methylpropanoic acid
CID 61262055
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
CID 171632715
CID 171632715

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one (CID 114737015) is 2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one is CC(N)(C(=O)c1cc2ccccc2o1)C(F)(F)F.
What is the InChIKey of 2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The InChIKey is RNWIYCWPBNSQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-11(16,12(13,14)15)10(17)9-6-7-4-2-3-5-8(7)18-9/h2-6H,16H2,1H3.
What are the key properties of 2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one has a molecular weight of 257.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one is sourced from PubChem (CID 114737015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).