1-(2,5-difluorophenyl)-N-phenylmethanimine

C13H9F2N — CID 23340889

IUPAC1-(2,5-difluorophenyl)-N-phenylmethanimine
SMILESFc1ccc(F)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C13H9F2N/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12/h1-9H/b16-9+
InChIKeyHUPDCNNPTBNBBI-CXUHLZMHSA-N
MW217.22 g/mol
LogP3.72
Rot. Bonds2

About 1-(2,5-difluorophenyl)-N-phenylmethanimine

1-(2,5-difluorophenyl)-N-phenylmethanimine (PubChem CID 23340889) has the molecular formula C13H9F2N and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-phenylmethanimine
PubChem CID23340889
Molecular FormulaC13H9F2N
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-(2,5-difluorophenyl)-N-phenylmethanimine
SMILESFc1ccc(F)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C13H9F2N/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12/h1-9H/b16-9+
InChIKeyHUPDCNNPTBNBBI-CXUHLZMHSA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 53.72
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-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
1,4-difluoro-2-[(E)-2-(2-fluorophenyl)ethenyl]benzene
CID 134146382
1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine
CID 23329229
1-(2,5-difluorophenyl)-N-phenylmethanimine oxide
CID 88774823
4-fluoro-2-[[2-[(5-fluoro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;platinum(2+)
CID 86298558
2,5-difluorothiobenzaldehyde
CID 91234855
[2-(phenyliminomethyl)phenoxy] thiohypofluorite
CID 118561769
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
N,1-diphenylmethanimine
CID 10858
4-[(E)-(2,5-difluorophenyl)methylideneamino]-1,2,4-triazolidine-3,5-dione
CID 117061152
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
N-(3-fluorophenyl)-1-(2,4,6-trifluorophenyl)methanimine
CID 23329282

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-phenylmethanimine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-phenylmethanimine (CID 23340889) is 1-(2,5-difluorophenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-phenylmethanimine is Fc1ccc(F)c(/C=N/c2ccccc2)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-phenylmethanimine?
The InChIKey is HUPDCNNPTBNBBI-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9F2N/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12/h1-9H/b16-9+.
What are the key properties of 1-(2,5-difluorophenyl)-N-phenylmethanimine?
1-(2,5-difluorophenyl)-N-phenylmethanimine has a molecular weight of 217.22 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-phenylmethanimine is sourced from PubChem (CID 23340889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).