1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone

C8H4ClF4NO — CID 18386558

IUPAC1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone
SMILESNc1c(F)cc(Cl)cc1C(=O)C(F)(F)F
InChIInChI=1S/C8H4ClF4NO/c9-3-1-4(6(14)5(10)2-3)7(15)8(11,12)13/h1-2H,14H2
InChIKeyFHUPUAABOQBCSO-UHFFFAOYSA-N
MW241.57 g/mol
LogP2.81
Rot. Bonds1

About 1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone

1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone (PubChem CID 18386558) has the molecular formula C8H4ClF4NO and a molecular weight of 241.57 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone
PubChem CID18386558
Molecular FormulaC8H4ClF4NO
Molecular Weight241.57 g/mol
Exact Mass240.99
IUPAC Name1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone
SMILESNc1c(F)cc(Cl)cc1C(=O)C(F)(F)F
InChIInChI=1S/C8H4ClF4NO/c9-3-1-4(6(14)5(10)2-3)7(15)8(11,12)13/h1-2H,14H2
InChIKeyFHUPUAABOQBCSO-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.57
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone 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

1-(2-amino-5-chloro-3-methoxyphenyl)-2,2,2-trifluoroethanone
CID 15923091
1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
CID 2757718
N-[4-chloro-2-fluoro-6-(2,2,2-trifluoroacetyl)phenyl]-N,2-dimethylpropanamide
CID 18386561
1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone
CID 146015296
2,5-dichloro-3-fluorobenzamide
CID 121228309
1-(2,5-dichloro-3-fluorophenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 146009518
1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone
CID 58713618
1-(2,5-dichloro-3-fluorophenyl)-2,2-dimethylpropan-1-one
CID 146009509
1-(4-amino-2,3-dichlorophenyl)-2,2,2-trifluoroethanone
CID 175139481
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
(2-amino-5-chloro-3-fluorophenyl)-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 126825227
4-chloro-2,6-difluorobenzamide
CID 22478130

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone (CID 18386558) is 1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone is Nc1c(F)cc(Cl)cc1C(=O)C(F)(F)F.
What is the InChIKey of 1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone?
The InChIKey is FHUPUAABOQBCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF4NO/c9-3-1-4(6(14)5(10)2-3)7(15)8(11,12)13/h1-2H,14H2.
What are the key properties of 1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone?
1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone has a molecular weight of 241.57 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 18386558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).