1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine

C17H14F4N2 — CID 54401420

IUPAC1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine
SMILESCCCc1cc(F)c(C=NN=Cc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C17H14F4N2/c1-2-3-11-6-15(19)13(16(20)7-11)10-23-22-9-12-4-5-14(18)17(21)8-12/h4-10H,2-3H2,1H3
InChIKeyVNRYYTSPOFRUTJ-UHFFFAOYSA-N
MW322.31 g/mol
LogP4.65
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine

1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine (PubChem CID 54401420) has the molecular formula C17H14F4N2 and a molecular weight of 322.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine
PubChem CID54401420
Molecular FormulaC17H14F4N2
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC Name1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine
SMILESCCCc1cc(F)c(C=NN=Cc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C17H14F4N2/c1-2-3-11-6-15(19)13(16(20)7-11)10-23-22-9-12-4-5-14(18)17(21)8-12/h4-10H,2-3H2,1H3
InChIKeyVNRYYTSPOFRUTJ-UHFFFAOYSA-N
XLogP4.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 19368938
N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54117379
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
CID 54079690
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 54129002
N-[(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 54528266
1,2-difluoro-4-propylbenzene;methane
CID 160697343
(E)-N-[(E)-(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368935
(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368335
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine
CID 19368363
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethylcyclohexyl)phenyl]methanimine
CID 54354891

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine (CID 54401420) is 1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine is CCCc1cc(F)c(C=NN=Cc2ccc(F)c(F)c2)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine?
The InChIKey is VNRYYTSPOFRUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2/c1-2-3-11-6-15(19)13(16(20)7-11)10-23-22-9-12-4-5-14(18)17(21)8-12/h4-10H,2-3H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine?
1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine has a molecular weight of 322.31 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine is sourced from PubChem (CID 54401420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).