(Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide

C10H7F4NO2 — CID 170877218

IUPAC(Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C10H7F4NO2/c11-7-5-6(2-4-9(15)16)1-3-8(7)17-10(12,13)14/h1-5H,(H2,15,16)/b4-2-
InChIKeyZFBDMZHCJVGDHT-RQOWECAXSA-N
MW249.16 g/mol
LogP2.22
Rot. Bonds3

About (Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide

(Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 170877218) has the molecular formula C10H7F4NO2 and a molecular weight of 249.16 g/mol. Its IUPAC name is (Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID170877218
Molecular FormulaC10H7F4NO2
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC Name(Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C10H7F4NO2/c11-7-5-6(2-4-9(15)16)1-3-8(7)17-10(12,13)14/h1-5H,(H2,15,16)/b4-2-
InChIKeyZFBDMZHCJVGDHT-RQOWECAXSA-N
XLogP2.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide 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

4-(3-amino-3-oxoprop-1-enyl)-2-(trifluoromethoxy)benzoic acid
CID 169482651
butyl 3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enoate
CID 67052573
3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enal
CID 169459810
5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid
CID 171372582
3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 69489696
3-(4-bromo-3-fluorophenyl)prop-2-enamide
CID 169482722
(E)-3-[3-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 134620145
3-[3-chloro-4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 57367865
(E)-3-[4-fluoro-3-[2-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 134631122
(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide
CID 55267143
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide
CID 55267922

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide (CID 170877218) is (Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide is NC(=O)/C=C\c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of (Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is ZFBDMZHCJVGDHT-RQOWECAXSA-N. The full InChI is InChI=1S/C10H7F4NO2/c11-7-5-6(2-4-9(15)16)1-3-8(7)17-10(12,13)14/h1-5H,(H2,15,16)/b4-2-.
What are the key properties of (Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide?
(Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 249.16 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 170877218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).