2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid

C12H10F3NO4 — CID 118037506

IUPAC2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1=Cc2ccccc2OC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H9NO2.C2HF3O2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8;3-2(4,5)1(6)7/h1-5H,6H2,(H2,11,12);(H,6,7)
InChIKeyBREKONVOQWJLGD-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.58
Rot. Bonds1

About 2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid

2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118037506) has the molecular formula C12H10F3NO4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118037506
Molecular FormulaC12H10F3NO4
Molecular Weight289.21 g/mol
Exact Mass289.06
IUPAC Name2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1=Cc2ccccc2OC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H9NO2.C2HF3O2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8;3-2(4,5)1(6)7/h1-5H,6H2,(H2,11,12);(H,6,7)
InChIKeyBREKONVOQWJLGD-UHFFFAOYSA-N
XLogP1.58
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2H-chromene-3-carboxamide
CID 13029267
[(2S)-1-amino-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745641
N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide
CID 126203159
benzyl 2-(2H-chromene-3-carbonylamino)acetate
CID 26646466
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
3-(2H-chromene-3-carbonylamino)butanoic acid
CID 119220849
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745614
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247

Frequently Asked Questions

What is the IUPAC name of 2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid (CID 118037506) is 2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)C1=Cc2ccccc2OC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BREKONVOQWJLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C2HF3O2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8;3-2(4,5)1(6)7/h1-5H,6H2,(H2,11,12);(H,6,7).
What are the key properties of 2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid?
2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 289.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118037506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).