N-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine

C13H7F4N — CID 139199985

IUPACN-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine
SMILESFc1cc(F)cc(/C=N/c2cc(F)ccc2F)c1
InChIInChI=1S/C13H7F4N/c14-9-1-2-12(17)13(6-9)18-7-8-3-10(15)5-11(16)4-8/h1-7H/b18-7+
InChIKeyICUQROULQQDFHA-CNHKJKLMSA-N
MW253.20 g/mol
LogP3.99
Rot. Bonds2

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

N-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine (PubChem CID 139199985) has the molecular formula C13H7F4N and a molecular weight of 253.20 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine
PubChem CID139199985
Molecular FormulaC13H7F4N
Molecular Weight253.20 g/mol
Exact Mass253.05
IUPAC NameN-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine
SMILESFc1cc(F)cc(/C=N/c2cc(F)ccc2F)c1
InChIInChI=1S/C13H7F4N/c14-9-1-2-12(17)13(6-9)18-7-8-3-10(15)5-11(16)4-8/h1-7H/b18-7+
InChIKeyICUQROULQQDFHA-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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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine?
The IUPAC name of N-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine (CID 139199985) is N-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine?
The canonical SMILES for N-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine is Fc1cc(F)cc(/C=N/c2cc(F)ccc2F)c1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine?
The InChIKey is ICUQROULQQDFHA-CNHKJKLMSA-N. The full InChI is InChI=1S/C13H7F4N/c14-9-1-2-12(17)13(6-9)18-7-8-3-10(15)5-11(16)4-8/h1-7H/b18-7+.
What are the key properties of N-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine?
N-(2,5-difluorophenyl)-1-(3,5-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 N-(2,5-difluorophenyl)-1-(3,5-difluorophenyl)methanimine is sourced from PubChem (CID 139199985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).