2,2,3-trifluoro-N-(3-formylphenyl)propanamide

C10H8F3NO2 — CID 87575874

IUPAC2,2,3-trifluoro-N-(3-formylphenyl)propanamide
SMILESO=Cc1cccc(NC(=O)C(F)(F)CF)c1
InChIInChI=1S/C10H8F3NO2/c11-6-10(12,13)9(16)14-8-3-1-2-7(4-8)5-15/h1-5H,6H2,(H,14,16)
InChIKeyGSMNJHXGOWPTGG-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.04
Rot. Bonds4

About 2,2,3-trifluoro-N-(3-formylphenyl)propanamide

2,2,3-trifluoro-N-(3-formylphenyl)propanamide (PubChem CID 87575874) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2,2,3-trifluoro-N-(3-formylphenyl)propanamide.

Molecular Properties

Compound Name2,2,3-trifluoro-N-(3-formylphenyl)propanamide
PubChem CID87575874
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2,2,3-trifluoro-N-(3-formylphenyl)propanamide
SMILESO=Cc1cccc(NC(=O)C(F)(F)CF)c1
InChIInChI=1S/C10H8F3NO2/c11-6-10(12,13)9(16)14-8-3-1-2-7(4-8)5-15/h1-5H,6H2,(H,14,16)
InChIKeyGSMNJHXGOWPTGG-UHFFFAOYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 87362484
3-(2-fluoroethylamino)benzaldehyde
CID 84652613
N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106912441
N-(3-formylphenyl)cyclopropanecarboxamide
CID 106912504
2-(2-aminophenyl)-N-(3-formylphenyl)acetamide
CID 162521293
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide
CID 14154828
N-[3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2,2,2-trifluoroacetamide
CID 46677978
3-chloro-4-fluoro-N-(3-formylphenyl)benzamide
CID 106912747
5-[(3-formylphenyl)carbamoylamino]pentanoic acid
CID 59745112
N-(3-formylphenyl)-3-phenoxypropanamide
CID 106912466
N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
CID 106912590

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-N-(3-formylphenyl)propanamide?
The IUPAC name of 2,2,3-trifluoro-N-(3-formylphenyl)propanamide (CID 87575874) is 2,2,3-trifluoro-N-(3-formylphenyl)propanamide.
What is the SMILES notation for 2,2,3-trifluoro-N-(3-formylphenyl)propanamide?
The canonical SMILES for 2,2,3-trifluoro-N-(3-formylphenyl)propanamide is O=Cc1cccc(NC(=O)C(F)(F)CF)c1.
What is the InChIKey of 2,2,3-trifluoro-N-(3-formylphenyl)propanamide?
The InChIKey is GSMNJHXGOWPTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-6-10(12,13)9(16)14-8-3-1-2-7(4-8)5-15/h1-5H,6H2,(H,14,16).
What are the key properties of 2,2,3-trifluoro-N-(3-formylphenyl)propanamide?
2,2,3-trifluoro-N-(3-formylphenyl)propanamide has a molecular weight of 231.17 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-N-(3-formylphenyl)propanamide is sourced from PubChem (CID 87575874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).