N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide

C8H3Br2F4NO — CID 125116732

IUPACN-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(Br)cc(Br)c1F)C(F)(F)F
InChIInChI=1S/C8H3Br2F4NO/c9-3-1-4(10)6(11)5(2-3)15-7(16)8(12,13)14/h1-2H,(H,15,16)
InChIKeyYDTIBDLYCFSVBY-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.85
Rot. Bonds1

About N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide

N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide (PubChem CID 125116732) has the molecular formula C8H3Br2F4NO and a molecular weight of 364.92 g/mol. Its IUPAC name is N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide
PubChem CID125116732
Molecular FormulaC8H3Br2F4NO
Molecular Weight364.92 g/mol
Exact Mass362.85
IUPAC NameN-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(Br)cc(Br)c1F)C(F)(F)F
InChIInChI=1S/C8H3Br2F4NO/c9-3-1-4(10)6(11)5(2-3)15-7(16)8(12,13)14/h1-2H,(H,15,16)
InChIKeyYDTIBDLYCFSVBY-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide
CID 11331444
N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 162421308
N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 129147318
N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
CID 17068588
N-[5-bromo-4-(cyanomethyl)-2-fluorophenyl]-2,2,2-trifluoroacetamide
CID 171511680
N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
CID 23258549
2,2,2-trifluoro-N-(5-fluoro-2-hydroxyphenyl)acetamide
CID 15688157
N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 145284883
N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide
CID 110481225
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
5-bromo-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]benzenesulfonyl chloride
CID 82757191
N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide
CID 63939054

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide (CID 125116732) is N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide is O=C(Nc1cc(Br)cc(Br)c1F)C(F)(F)F.
What is the InChIKey of N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is YDTIBDLYCFSVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2F4NO/c9-3-1-4(10)6(11)5(2-3)15-7(16)8(12,13)14/h1-2H,(H,15,16).
What are the key properties of N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide?
N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 364.92 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 125116732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).