ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane

C19H19F4NO — CID 142206335

IUPACethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane
SMILESC=CO/C(=N\c1cccc(F)c1C)c1cccc(C(C)(F)F)c1.CF
InChIInChI=1S/C18H16F3NO.CH3F/c1-4-23-17(22-16-10-6-9-15(19)12(16)2)13-7-5-8-14(11-13)18(3,20)21;1-2/h4-11H,1H2,2-3H3;1H3/b22-17-;
InChIKeyLELPQDMRPUUQSF-JJECXDOKSA-N
MW353.36 g/mol
LogP6.07
Rot. Bonds4

About ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane

ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane (PubChem CID 142206335) has the molecular formula C19H19F4NO and a molecular weight of 353.36 g/mol. Its IUPAC name is ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane.

Molecular Properties

Compound Nameethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane
PubChem CID142206335
Molecular FormulaC19H19F4NO
Molecular Weight353.36 g/mol
Exact Mass353.14
IUPAC Nameethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane
SMILESC=CO/C(=N\c1cccc(F)c1C)c1cccc(C(C)(F)F)c1.CF
InChIInChI=1S/C18H16F3NO.CH3F/c1-4-23-17(22-16-10-6-9-15(19)12(16)2)13-7-5-8-14(11-13)18(3,20)21;1-2/h4-11H,1H2,2-3H3;1H3/b22-17-;
InChIKeyLELPQDMRPUUQSF-JJECXDOKSA-N
XLogP6.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.36
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane?
The IUPAC name of ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane (CID 142206335) is ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane.
What is the SMILES notation for ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane?
The canonical SMILES for ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane is C=CO/C(=N\c1cccc(F)c1C)c1cccc(C(C)(F)F)c1.CF.
What is the InChIKey of ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane?
The InChIKey is LELPQDMRPUUQSF-JJECXDOKSA-N. The full InChI is InChI=1S/C18H16F3NO.CH3F/c1-4-23-17(22-16-10-6-9-15(19)12(16)2)13-7-5-8-14(11-13)18(3,20)21;1-2/h4-11H,1H2,2-3H3;1H3/b22-17-;.
What are the key properties of ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane?
ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane has a molecular weight of 353.36 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-(1,1-difluoroethyl)-N-(3-fluoro-2-methylphenyl)benzenecarboximidate;fluoromethane is sourced from PubChem (CID 142206335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).