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

N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine
CID 142157877
2,6-difluoro-4-(methylideneamino)-3-methylsulfanylphenol
CID 123535189
N-(2-ethyl-7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)methanimine
CID 134175040
N-(2-ethenyl-4,5-dimethylphenyl)methanimine
CID 177137027
(4,5-difluoro-2-methylphenyl)-methylboranuide
CID 137328861
1,2-difluoro-4-(fluoromethyl)-5-methylbenzene
CID 130909757
1-azido-5-bromo-4-fluoro-2-methylbenzene
CID 107593406
N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine
CID 144501350
1-chloro-4-fluoro-2-methyl-5-nitrosobenzene
CID 89048368
(2,3-dichloro-6-fluoro-4-methylphenyl)boronic acid
CID 131676872
N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine
CID 166455325
1-buta-1,3-dien-2-yl-4,5-difluoro-2-methylbenzene
CID 142393567

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).