N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide

C9H7BrF3NO — CID 556297

IUPACN-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C9H7BrF3NO/c10-7-3-1-6(2-4-7)5-14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyGBGMQVIMVBTEOG-UHFFFAOYSA-N
MW282.06 g/mol
LogP2.63
Rot. Bonds2

About N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide

N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 556297) has the molecular formula C9H7BrF3NO and a molecular weight of 282.06 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
PubChem CID556297
Molecular FormulaC9H7BrF3NO
Molecular Weight282.06 g/mol
Exact Mass280.97
IUPAC NameN-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C9H7BrF3NO/c10-7-3-1-6(2-4-7)5-14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyGBGMQVIMVBTEOG-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.06
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide (CID 556297) is N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide is O=C(NCc1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is GBGMQVIMVBTEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO/c10-7-3-1-6(2-4-7)5-14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15).
What are the key properties of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide?
N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 282.06 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 556297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).