N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide

C9H5BrF5NO — CID 103515406

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)C(F)F
InChIInChI=1S/C9H5BrF5NO/c10-4-1-2-6(16-8(17)7(11)12)5(3-4)9(13,14)15/h1-3,7H,(H,16,17)
InChIKeyPIRCNWABZVUWIM-UHFFFAOYSA-N
MW318.04 g/mol
LogP3.67
Rot. Bonds2

About N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide

N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide (PubChem CID 103515406) has the molecular formula C9H5BrF5NO and a molecular weight of 318.04 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
PubChem CID103515406
Molecular FormulaC9H5BrF5NO
Molecular Weight318.04 g/mol
Exact Mass316.95
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)C(F)F
InChIInChI=1S/C9H5BrF5NO/c10-4-1-2-6(16-8(17)7(11)12)5(3-4)9(13,14)15/h1-3,7H,(H,16,17)
InChIKeyPIRCNWABZVUWIM-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.04
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 107904014
(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 113225657
(2S)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 61178655
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264263
N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide
CID 58381574
5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 60792710
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
CID 60851337
2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid
CID 65484378

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide (CID 103515406) is N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide is O=C(Nc1ccc(Br)cc1C(F)(F)F)C(F)F.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide?
The InChIKey is PIRCNWABZVUWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF5NO/c10-4-1-2-6(16-8(17)7(11)12)5(3-4)9(13,14)15/h1-3,7H,(H,16,17).
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide?
N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide has a molecular weight of 318.04 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103515406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).