N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine

C20H15F2N — CID 91060417

IUPACN-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine
SMILESC=Nc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)c(F)c1F
InChIInChI=1S/C20H15F2N/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-12-18(23-2)20(22)19(17)21/h3-12H,2H2,1H3
InChIKeyJBWIUPHHBCRVRB-UHFFFAOYSA-N
MW307.34 g/mol
LogP5.94
Rot. Bonds3

About N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine

N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine (PubChem CID 91060417) has the molecular formula C20H15F2N and a molecular weight of 307.34 g/mol. Its IUPAC name is N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine.

Molecular Properties

Compound NameN-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine
PubChem CID91060417
Molecular FormulaC20H15F2N
Molecular Weight307.34 g/mol
Exact Mass307.12
IUPAC NameN-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine
SMILESC=Nc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)c(F)c1F
InChIInChI=1S/C20H15F2N/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-12-18(23-2)20(22)19(17)21/h3-12H,2H2,1H3
InChIKeyJBWIUPHHBCRVRB-UHFFFAOYSA-N
XLogP5.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.34
LogP ≤ 55.94
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-[4-methyl-2-(4-methylphenyl)phenyl]methanimine
CID 102221706
N-[2-(4-methylphenyl)phenyl]methanimine
CID 54308926
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene
CID 142004346
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
4-[2,3-difluoro-4-(4-methylphenyl)phenyl]-N-propylaniline
CID 129140693
3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine
CID 20663234
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
[2,6-difluoro-3-(4-methylphenyl)phenyl]methanol
CID 175668235
1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene
CID 58140910

Frequently Asked Questions

What is the IUPAC name of N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine?
The IUPAC name of N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine (CID 91060417) is N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine.
What is the SMILES notation for N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine?
The canonical SMILES for N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine is C=Nc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)c(F)c1F.
What is the InChIKey of N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine?
The InChIKey is JBWIUPHHBCRVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-12-18(23-2)20(22)19(17)21/h3-12H,2H2,1H3.
What are the key properties of N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine?
N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine has a molecular weight of 307.34 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]methanimine is sourced from PubChem (CID 91060417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).