N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide

C5H5BrF3NO — CID 6381887

IUPACN-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC/C=C/Br)C(F)(F)F
InChIInChI=1S/C5H5BrF3NO/c6-2-1-3-10-4(11)5(7,8)9/h1-2H,3H2,(H,10,11)/b2-1+
InChIKeyDLQNUUMBZPAJIM-OWOJBTEDSA-N
MW232.00 g/mol
LogP1.57
Rot. Bonds2

About N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide

N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide (PubChem CID 6381887) has the molecular formula C5H5BrF3NO and a molecular weight of 232.00 g/mol. Its IUPAC name is N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide
PubChem CID6381887
Molecular FormulaC5H5BrF3NO
Molecular Weight232.00 g/mol
Exact Mass230.95
IUPAC NameN-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC/C=C/Br)C(F)(F)F
InChIInChI=1S/C5H5BrF3NO/c6-2-1-3-10-4(11)5(7,8)9/h1-2H,3H2,(H,10,11)/b2-1+
InChIKeyDLQNUUMBZPAJIM-OWOJBTEDSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.00
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Acetamide, N-(2-bromoallyl)-2,2,2-trifluoro-
CID 59582
N-Allyl-2,2,2-trifluoroacetamide
CID 558569
N-allyl-2-bromo-2,2-difluoroacetamide
CID 15316936
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
3,3,3-trifluoro-N-prop-2-enylpropanamide
CID 22975874
N-but-2-enyl-2,2,2-trifluoroacetamide
CID 57244086
CID 88903280
CID 88903280
2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide
CID 89074741
N-(3-bromoprop-2-enyl)-2,2,2-trifluoroacetamide
CID 297710
N-(2,3-dibromoprop-2-enyl)-2,2,2-trifluoroacetamide
CID 297748
2,2,3,3-tetrafluoro-N-prop-2-enylpropanamide
CID 3634377
N-[(E)-2,3-dibromoprop-2-enyl]-2,2,2-trifluoroacetamide
CID 5833185

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide (CID 6381887) is N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide is O=C(NC/C=C/Br)C(F)(F)F.
What is the InChIKey of N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide?
The InChIKey is DLQNUUMBZPAJIM-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H5BrF3NO/c6-2-1-3-10-4(11)5(7,8)9/h1-2H,3H2,(H,10,11)/b2-1+.
What are the key properties of N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide?
N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide has a molecular weight of 232.00 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-bromoprop-2-enyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 6381887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).