N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide

C8H5F5N2O — CID 110481225

IUPACN-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide
SMILESNc1c(NC(=O)C(F)(F)F)ccc(F)c1F
InChIInChI=1S/C8H5F5N2O/c9-3-1-2-4(6(14)5(3)10)15-7(16)8(11,12)13/h1-2H,14H2,(H,15,16)
InChIKeyLKQIIHLJGKGPRV-UHFFFAOYSA-N
MW240.13 g/mol
LogP2.05
Rot. Bonds1

About N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide

N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide (PubChem CID 110481225) has the molecular formula C8H5F5N2O and a molecular weight of 240.13 g/mol. Its IUPAC name is N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide
PubChem CID110481225
Molecular FormulaC8H5F5N2O
Molecular Weight240.13 g/mol
Exact Mass240.03
IUPAC NameN-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide
SMILESNc1c(NC(=O)C(F)(F)F)ccc(F)c1F
InChIInChI=1S/C8H5F5N2O/c9-3-1-2-4(6(14)5(3)10)15-7(16)8(11,12)13/h1-2H,14H2,(H,15,16)
InChIKeyLKQIIHLJGKGPRV-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
3-amino-N-(2-amino-3,4-difluorophenyl)propanamide
CID 110479002
N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide
CID 162607713
N-[2-amino-4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide
CID 143862518
2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide
CID 146238280
N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide
CID 174970141
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide
CID 39184054
N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide
CID 163133531
2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 175043157
2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide
CID 15688157

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide (CID 110481225) is N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide is Nc1c(NC(=O)C(F)(F)F)ccc(F)c1F.
What is the InChIKey of N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is LKQIIHLJGKGPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O/c9-3-1-2-4(6(14)5(3)10)15-7(16)8(11,12)13/h1-2H,14H2,(H,15,16).
What are the key properties of N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide?
N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 240.13 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 110481225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).