1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine

C13H7F4N — CID 139199992

IUPAC1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2cccc(F)c2F)cc1F
InChIInChI=1S/C13H7F4N/c14-10-5-4-9(6-12(10)16)18-7-8-2-1-3-11(15)13(8)17/h1-7H/b18-7+
InChIKeyHJNTZQFGUJQJFO-CNHKJKLMSA-N
MW253.20 g/mol
LogP3.99
Rot. Bonds2

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

1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine (PubChem CID 139199992) has the molecular formula C13H7F4N and a molecular weight of 253.20 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine
PubChem CID139199992
Molecular FormulaC13H7F4N
Molecular Weight253.20 g/mol
Exact Mass253.05
IUPAC Name1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2cccc(F)c2F)cc1F
InChIInChI=1S/C13H7F4N/c14-10-5-4-9(6-12(10)16)18-7-8-2-1-3-11(15)13(8)17/h1-7H/b18-7+
InChIKeyHJNTZQFGUJQJFO-CNHKJKLMSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 53.99
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

1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine
CID 23329229
3-[(2,3-difluorophenyl)methylideneamino]benzamide
CID 175437283
2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 135939522
2-[(2,3-difluorophenyl)methylideneamino]benzoic acid
CID 23333881
2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol
CID 135843252
1-(2,5-difluorophenyl)-N-phenylmethanimine
CID 23340889
2-[1-[2-[3-[(2,3-difluorophenyl)methylideneamino]phenyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 169086252
N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline
CID 172716107
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
1,2,3-trifluorobenzene
CID 15147
N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
CID 126021996
2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 5232645

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine (CID 139199992) is 1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine is Fc1ccc(/N=C/c2cccc(F)c2F)cc1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine?
The InChIKey is HJNTZQFGUJQJFO-CNHKJKLMSA-N. The full InChI is InChI=1S/C13H7F4N/c14-10-5-4-9(6-12(10)16)18-7-8-2-1-3-11(15)13(8)17/h1-7H/b18-7+.
What are the key properties of 1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine?
1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine has a molecular weight of 253.20 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine is sourced from PubChem (CID 139199992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).