N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine

C13H4F7N — CID 23278103

IUPACN-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2c(F)c(F)c(F)c(F)c2F)c(F)c1
InChIInChI=1S/C13H4F7N/c14-5-1-2-8(7(15)3-5)21-4-6-9(16)11(18)13(20)12(19)10(6)17/h1-4H/b21-4+
InChIKeyDRRZARPNSVKDET-IPBDZQFASA-N
MW307.17 g/mol
LogP4.41
Rot. Bonds2

About N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine

N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine (PubChem CID 23278103) has the molecular formula C13H4F7N and a molecular weight of 307.17 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
PubChem CID23278103
Molecular FormulaC13H4F7N
Molecular Weight307.17 g/mol
Exact Mass307.02
IUPAC NameN-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2c(F)c(F)c(F)c(F)c2F)c(F)c1
InChIInChI=1S/C13H4F7N/c14-5-1-2-8(7(15)3-5)21-4-6-9(16)11(18)13(20)12(19)10(6)17/h1-4H/b21-4+
InChIKeyDRRZARPNSVKDET-IPBDZQFASA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide
CID 20763258
N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine
CID 134330430
N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
CID 126245854
N-(2,4-difluorophenyl)-1-(3-nitrophenyl)methanimine
CID 122707231
1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11285131
N-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine
CID 139199985
2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135595380
4-[(2,4-difluorophenyl)iminomethyl]-3-hydroxy-2-[2-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 2312209
5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 137075421
2-(4-chlorophenyl)-4-[(2,4-difluorophenyl)iminomethyl]-5-ethoxy-1H-pyrazol-3-one
CID 1478317
N-(3-fluorophenyl)-1-(2,4,6-trifluorophenyl)methanimine
CID 23329282
5-[5-[(2,4-difluorophenyl)iminomethyl]furan-2-yl]-2-methylbenzoate
CID 7341158

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The IUPAC name of N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine (CID 23278103) is N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine is Fc1ccc(/N=C/c2c(F)c(F)c(F)c(F)c2F)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The InChIKey is DRRZARPNSVKDET-IPBDZQFASA-N. The full InChI is InChI=1S/C13H4F7N/c14-5-1-2-8(7(15)3-5)21-4-6-9(16)11(18)13(20)12(19)10(6)17/h1-4H/b21-4+.
What are the key properties of N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine has a molecular weight of 307.17 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine is sourced from PubChem (CID 23278103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).