N-(2-bromophenyl)-2,2,2-trifluoroacetamide

C8H5BrF3NO — CID 4263215

IUPACN-(2-bromophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccccc1Br)C(F)(F)F
InChIInChI=1S/C8H5BrF3NO/c9-5-3-1-2-4-6(5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKeyYAIXIJZAVUCEAC-UHFFFAOYSA-N
MW268.03 g/mol
LogP2.95
Rot. Bonds1

About N-(2-bromophenyl)-2,2,2-trifluoroacetamide

N-(2-bromophenyl)-2,2,2-trifluoroacetamide (PubChem CID 4263215) has the molecular formula C8H5BrF3NO and a molecular weight of 268.03 g/mol. Its IUPAC name is N-(2-bromophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2,2,2-trifluoroacetamide
PubChem CID4263215
Molecular FormulaC8H5BrF3NO
Molecular Weight268.03 g/mol
Exact Mass266.95
IUPAC NameN-(2-bromophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccccc1Br)C(F)(F)F
InChIInChI=1S/C8H5BrF3NO/c9-5-3-1-2-4-6(5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKeyYAIXIJZAVUCEAC-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-bromophenyl)-2,2,2-trifluoroacetamide (CID 4263215) is N-(2-bromophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-bromophenyl)-2,2,2-trifluoroacetamide is O=C(Nc1ccccc1Br)C(F)(F)F.
What is the InChIKey of N-(2-bromophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is YAIXIJZAVUCEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO/c9-5-3-1-2-4-6(5)13-7(14)8(10,11)12/h1-4H,(H,13,14).
What are the key properties of N-(2-bromophenyl)-2,2,2-trifluoroacetamide?
N-(2-bromophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 268.03 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 4263215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).