N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide

C10H11F3N2O2 — CID 163424752

IUPACN-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide
SMILESNC(=O)C(NC(=O)C(F)(F)F)C1C=CC=CC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9(17)15-7(8(14)16)6-4-2-1-3-5-6/h1-4,6-7H,5H2,(H2,14,16)(H,15,17)
InChIKeyALNDVSPYBUETTJ-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.65
Rot. Bonds3

About N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide

N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide (PubChem CID 163424752) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide
PubChem CID163424752
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC NameN-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide
SMILESNC(=O)C(NC(=O)C(F)(F)F)C1C=CC=CC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9(17)15-7(8(14)16)6-4-2-1-3-5-6/h1-4,6-7H,5H2,(H2,14,16)(H,15,17)
InChIKeyALNDVSPYBUETTJ-UHFFFAOYSA-N
XLogP0.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 67889641
N-(2-aminoethyl)-4,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 68305478
5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
CID 70892604
2-(3-aminopropyl)-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pent-4-enamide
CID 89073749
N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide
CID 91413361
(2S)-2-amino-N-[(2S)-1-[(1-amino-3-cyclohexa-1,5-dien-1-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]pentanamide;1,1,1-trifluoro-2-methylpropane
CID 169180657
3-cyclohexa-2,5-dien-1-yl-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 16637629
2-Cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 60997470
4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210485
2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115587189
rac-(1R,6R)-6-[(4,4,4-trifluorobutanoyl)amino]cyclohex-3-ene-1-carboxamide
CID 122572171
(3R)-3-[(E)-4-fluoro-2-methylpent-3-enyl]-1-[(3Z,5Z)-2-methylhepta-3,5-dienyl]piperazine-2,5-dione
CID 145513366

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide (CID 163424752) is N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide is NC(=O)C(NC(=O)C(F)(F)F)C1C=CC=CC1.
What is the InChIKey of N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide?
The InChIKey is ALNDVSPYBUETTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)9(17)15-7(8(14)16)6-4-2-1-3-5-6/h1-4,6-7H,5H2,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide?
N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide has a molecular weight of 248.20 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexa-2,4-dien-1-yl-2-oxoethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 163424752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).