N-(4,5-difluoro-2-methylphenyl)methanimine

C8H7F2N — CID 123475442

IUPACN-(4,5-difluoro-2-methylphenyl)methanimine
SMILESC=Nc1cc(F)c(F)cc1C
InChIInChI=1S/C8H7F2N/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,2H2,1H3
InChIKeyAQDIZCWERLCQCZ-UHFFFAOYSA-N
MW155.15 g/mol
LogP2.61
Rot. Bonds1

About N-(4,5-difluoro-2-methylphenyl)methanimine

N-(4,5-difluoro-2-methylphenyl)methanimine (PubChem CID 123475442) has the molecular formula C8H7F2N and a molecular weight of 155.15 g/mol. Its IUPAC name is N-(4,5-difluoro-2-methylphenyl)methanimine.

Molecular Properties

Compound NameN-(4,5-difluoro-2-methylphenyl)methanimine
PubChem CID123475442
Molecular FormulaC8H7F2N
Molecular Weight155.15 g/mol
Exact Mass155.05
IUPAC NameN-(4,5-difluoro-2-methylphenyl)methanimine
SMILESC=Nc1cc(F)c(F)cc1C
InChIInChI=1S/C8H7F2N/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,2H2,1H3
InChIKeyAQDIZCWERLCQCZ-UHFFFAOYSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Tolyl isocyanate
CID 69194
Benzenamine, 2-ethyl-6-methyl-N-methylene-
CID 118784
Benzenamine, 2,6-diethyl-N-methylene-
CID 93179
3-Fluoro-2-methylaniline
CID 285553
2-(Trifluoromethyl)phenyl isocyanate
CID 16794
N,N-Dimethyl-N'-(2-methylphenyl)methanimidamide
CID 25123
4-Fluoro-2-(trifluoromethyl)aniline
CID 67853
1-Isothiocyanato-3-(trifluoromethyl)benzene
CID 137232
2-Methylphenyl isothiocyanate
CID 69195
2-Ethylphenyl isothiocyanate
CID 2796213
2-Ethylphenyl isocyanate
CID 583486
4-Fluoro-2-methylaniline
CID 67982

Frequently Asked Questions

What is the IUPAC name of N-(4,5-difluoro-2-methylphenyl)methanimine?
The IUPAC name of N-(4,5-difluoro-2-methylphenyl)methanimine (CID 123475442) is N-(4,5-difluoro-2-methylphenyl)methanimine.
What is the SMILES notation for N-(4,5-difluoro-2-methylphenyl)methanimine?
The canonical SMILES for N-(4,5-difluoro-2-methylphenyl)methanimine is C=Nc1cc(F)c(F)cc1C.
What is the InChIKey of N-(4,5-difluoro-2-methylphenyl)methanimine?
The InChIKey is AQDIZCWERLCQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,2H2,1H3.
What are the key properties of N-(4,5-difluoro-2-methylphenyl)methanimine?
N-(4,5-difluoro-2-methylphenyl)methanimine has a molecular weight of 155.15 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-difluoro-2-methylphenyl)methanimine is sourced from PubChem (CID 123475442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).