N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine

C19H17F4N — CID 21138623

IUPACN-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine
SMILESC=Nc1c(C)cc(-c2c(F)cc(CCC=C(F)F)cc2F)cc1C
InChIInChI=1S/C19H17F4N/c1-11-7-14(8-12(2)19(11)24-3)18-15(20)9-13(10-16(18)21)5-4-6-17(22)23/h6-10H,3-5H2,1-2H3
InChIKeyINLNKTNUWVTNEU-UHFFFAOYSA-N
MW335.34 g/mol
LogP6.29
Rot. Bonds5

About N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine

N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine (PubChem CID 21138623) has the molecular formula C19H17F4N and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine.

Molecular Properties

Compound NameN-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine
PubChem CID21138623
Molecular FormulaC19H17F4N
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC NameN-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine
SMILESC=Nc1c(C)cc(-c2c(F)cc(CCC=C(F)F)cc2F)cc1C
InChIInChI=1S/C19H17F4N/c1-11-7-14(8-12(2)19(11)24-3)18-15(20)9-13(10-16(18)21)5-4-6-17(22)23/h6-10H,3-5H2,1-2H3
InChIKeyINLNKTNUWVTNEU-UHFFFAOYSA-N
XLogP6.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.34
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine?
The IUPAC name of N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine (CID 21138623) is N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine.
What is the SMILES notation for N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine?
The canonical SMILES for N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine is C=Nc1c(C)cc(-c2c(F)cc(CCC=C(F)F)cc2F)cc1C.
What is the InChIKey of N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine?
The InChIKey is INLNKTNUWVTNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N/c1-11-7-14(8-12(2)19(11)24-3)18-15(20)9-13(10-16(18)21)5-4-6-17(22)23/h6-10H,3-5H2,1-2H3.
What are the key properties of N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine?
N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine has a molecular weight of 335.34 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2,6-dimethylphenyl]methanimine is sourced from PubChem (CID 21138623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).