N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide

C12H11F4NO — CID 169465950

IUPACN-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H11F4NO/c1-8(18)17-6-2-3-9-4-5-10(7-11(9)13)12(14,15)16/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyMPONXVNRHILBAM-UHFFFAOYSA-N
MW261.22 g/mol
LogP2.99
Rot. Bonds3

About N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide

N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide (PubChem CID 169465950) has the molecular formula C12H11F4NO and a molecular weight of 261.22 g/mol. Its IUPAC name is N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
PubChem CID169465950
Molecular FormulaC12H11F4NO
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC NameN-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H11F4NO/c1-8(18)17-6-2-3-9-4-5-10(7-11(9)13)12(14,15)16/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyMPONXVNRHILBAM-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465937
2-(3-acetamidoprop-1-enyl)-5-(trifluoromethyl)benzoic acid
CID 169466370
N-[3-[2-amino-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466076
S-[4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-enyl] ethanethioate
CID 170480614
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465955
4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477046
N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489234
4-(3-acetamidoprop-1-enyl)-2,5-difluorobenzoic acid
CID 169466002
3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463995
N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
CID 169465750
2-(4-acetamidobut-1-enyl)-5-(trifluoromethyl)benzoic acid
CID 170489593

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide (CID 169465950) is N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The InChIKey is MPONXVNRHILBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NO/c1-8(18)17-6-2-3-9-4-5-10(7-11(9)13)12(14,15)16/h2-5,7H,6H2,1H3,(H,17,18).
What are the key properties of N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide has a molecular weight of 261.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).