N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide

C11H9BrF3NO — CID 135070673

IUPACN-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide
SMILESCC(=O)N/C(=C/C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrF3NO/c1-7(17)16-10(6-11(13,14)15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,16,17)/b10-6+
InChIKeyFNAMNQJRICNXIS-UXBLZVDNSA-N
MW308.10 g/mol
LogP3.49
Rot. Bonds2

About N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide

N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide (PubChem CID 135070673) has the molecular formula C11H9BrF3NO and a molecular weight of 308.10 g/mol. Its IUPAC name is N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide
PubChem CID135070673
Molecular FormulaC11H9BrF3NO
Molecular Weight308.10 g/mol
Exact Mass306.98
IUPAC NameN-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide
SMILESCC(=O)N/C(=C/C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrF3NO/c1-7(17)16-10(6-11(13,14)15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,16,17)/b10-6+
InChIKeyFNAMNQJRICNXIS-UXBLZVDNSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide?
The IUPAC name of N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide (CID 135070673) is N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide?
The canonical SMILES for N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide is CC(=O)N/C(=C/C(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide?
The InChIKey is FNAMNQJRICNXIS-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H9BrF3NO/c1-7(17)16-10(6-11(13,14)15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,16,17)/b10-6+.
What are the key properties of N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide?
N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide has a molecular weight of 308.10 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide is sourced from PubChem (CID 135070673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).