N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide

C9H4BrF6NO — CID 114037844

IUPACN-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1ccc(Br)c(F)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H4BrF6NO/c10-5-2-1-4(3-6(5)11)17-7(18)8(12,13)9(14,15)16/h1-3H,(H,17,18)
InChIKeyJGAPVAIFIAAASQ-UHFFFAOYSA-N
MW336.03 g/mol
LogP3.72
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide

N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 114037844) has the molecular formula C9H4BrF6NO and a molecular weight of 336.03 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID114037844
Molecular FormulaC9H4BrF6NO
Molecular Weight336.03 g/mol
Exact Mass334.94
IUPAC NameN-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1ccc(Br)c(F)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H4BrF6NO/c10-5-2-1-4(3-6(5)11)17-7(18)8(12,13)9(14,15)16/h1-3H,(H,17,18)
InChIKeyJGAPVAIFIAAASQ-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromo-3-fluoroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821308
N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 532144
N-(4-bromo-3-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 65436510
2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
CID 532140
3-amino-N-(4-bromo-3-fluorophenyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 65435769
1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)urea
CID 171854849
N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 3369312
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 14274634
N-(4-bromo-3-fluorophenyl)-2-carbamothioyl-2-methylbutanamide
CID 114292368
N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 114038120
methyl N-(4-bromo-3-fluorophenyl)carbamate;molecular iodine
CID 159991921

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide (CID 114037844) is N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide is O=C(Nc1ccc(Br)c(F)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is JGAPVAIFIAAASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF6NO/c10-5-2-1-4(3-6(5)11)17-7(18)8(12,13)9(14,15)16/h1-3H,(H,17,18).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide?
N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 336.03 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 114037844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).