1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine

C16H14F2N2 — CID 3300350

IUPAC1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine
SMILESFc1ccc(/C=N/CC/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14F2N2/c17-15-5-1-13(2-6-15)11-19-9-10-20-12-14-3-7-16(18)8-4-14/h1-8,11-12H,9-10H2/b19-11+,20-12+
InChIKeyBUVGSMGTCXQKPR-AYKLPDECSA-N
MW272.30 g/mol
LogP3.50
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine

1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine (PubChem CID 3300350) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine
PubChem CID3300350
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine
SMILESFc1ccc(/C=N/CC/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14F2N2/c17-15-5-1-13(2-6-15)11-19-9-10-20-12-14-3-7-16(18)8-4-14/h1-8,11-12H,9-10H2/b19-11+,20-12+
InChIKeyBUVGSMGTCXQKPR-AYKLPDECSA-N
XLogP3.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde azine
CID 5324610
Benzalazine
CID 92130
3,3'-Difluorobenzaldazine
CID 6604893
Para-tolualdehyde azine
CID 5337805
Methanamine, N-(phenylmethylene)-
CID 73954
1,2-Ethanediamine, N1,N2-bis(phenylmethylene)-
CID 66033
Ethanamine, N-(phenylmethylene)-
CID 111239
N-benzylidene-2-phenylethanamine
CID 576350
2,3-Dihydro-5,6-Diphenylpyrazine
CID 256218
N,N'-Dicinnamylidene-1,6-hexanediamine
CID 67325
1-(3-fluorophenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]methanimine
CID 5678496
N-Benzylidenepropylamine
CID 250250

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine (CID 3300350) is 1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine is Fc1ccc(/C=N/CC/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine?
The InChIKey is BUVGSMGTCXQKPR-AYKLPDECSA-N. The full InChI is InChI=1S/C16H14F2N2/c17-15-5-1-13(2-6-15)11-19-9-10-20-12-14-3-7-16(18)8-4-14/h1-8,11-12H,9-10H2/b19-11+,20-12+.
What are the key properties of 1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine?
1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine has a molecular weight of 272.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine is sourced from PubChem (CID 3300350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).