2-(2,4,6-trifluorophenyl)prop-2-enamide

C9H6F3NO — CID 142441728

IUPAC2-(2,4,6-trifluorophenyl)prop-2-enamide
SMILESC=C(C(N)=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H6F3NO/c1-4(9(13)14)8-6(11)2-5(10)3-7(8)12/h2-3H,1H2,(H2,13,14)
InChIKeyLZYRQYWZWWVBBO-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.60
Rot. Bonds2

About 2-(2,4,6-trifluorophenyl)prop-2-enamide

2-(2,4,6-trifluorophenyl)prop-2-enamide (PubChem CID 142441728) has the molecular formula C9H6F3NO and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-(2,4,6-trifluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-(2,4,6-trifluorophenyl)prop-2-enamide
PubChem CID142441728
Molecular FormulaC9H6F3NO
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name2-(2,4,6-trifluorophenyl)prop-2-enamide
SMILESC=C(C(N)=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H6F3NO/c1-4(9(13)14)8-6(11)2-5(10)3-7(8)12/h2-3H,1H2,(H2,13,14)
InChIKeyLZYRQYWZWWVBBO-UHFFFAOYSA-N
XLogP1.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trifluorophenyl)prop-2-enamide?
The IUPAC name of 2-(2,4,6-trifluorophenyl)prop-2-enamide (CID 142441728) is 2-(2,4,6-trifluorophenyl)prop-2-enamide.
What is the SMILES notation for 2-(2,4,6-trifluorophenyl)prop-2-enamide?
The canonical SMILES for 2-(2,4,6-trifluorophenyl)prop-2-enamide is C=C(C(N)=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(2,4,6-trifluorophenyl)prop-2-enamide?
The InChIKey is LZYRQYWZWWVBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO/c1-4(9(13)14)8-6(11)2-5(10)3-7(8)12/h2-3H,1H2,(H2,13,14).
What are the key properties of 2-(2,4,6-trifluorophenyl)prop-2-enamide?
2-(2,4,6-trifluorophenyl)prop-2-enamide has a molecular weight of 201.15 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trifluorophenyl)prop-2-enamide is sourced from PubChem (CID 142441728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).