N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide

C8H3BrF5NO — CID 17068588

IUPACN-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)C(F)(F)F
InChIInChI=1S/C8H3BrF5NO/c9-4-1-3(10)2-5(11)6(4)15-7(16)8(12,13)14/h1-2H,(H,15,16)
InChIKeyRUWIAHAENWXJBQ-UHFFFAOYSA-N
MW304.01 g/mol
LogP3.23
Rot. Bonds1

About N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide

N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide (PubChem CID 17068588) has the molecular formula C8H3BrF5NO and a molecular weight of 304.01 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
PubChem CID17068588
Molecular FormulaC8H3BrF5NO
Molecular Weight304.01 g/mol
Exact Mass302.93
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)C(F)(F)F
InChIInChI=1S/C8H3BrF5NO/c9-4-1-3(10)2-5(11)6(4)15-7(16)8(12,13)14/h1-2H,(H,15,16)
InChIKeyRUWIAHAENWXJBQ-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.01
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796967
2-amino-N-(2-bromo-4,6-difluorophenyl)-2-ethylbutanamide
CID 79809416
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate
CID 43347868
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide
CID 11331444
N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547613
N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide
CID 54928578
4-(2-bromo-4,6-difluoroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496506
2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid
CID 63645609
2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide
CID 62854822
2-amino-N-(2-bromo-4,6-difluorophenyl)-3-methoxypropanamide
CID 81081448

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide (CID 17068588) is N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide is O=C(Nc1c(F)cc(F)cc1Br)C(F)(F)F.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is RUWIAHAENWXJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF5NO/c9-4-1-3(10)2-5(11)6(4)15-7(16)8(12,13)14/h1-2H,(H,15,16).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide?
N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 304.01 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 17068588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).