2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine

C10H11FN2 — CID 90919854

IUPAC2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine
SMILESC/N=C/C(C)=N/c1ccc(F)cc1
InChIInChI=1S/C10H11FN2/c1-8(7-12-2)13-10-5-3-9(11)4-6-10/h3-7H,1-2H3/b12-7+,13-8+
InChIKeyNYNPUSGSAPSKIT-INOXDZRUSA-N
MW178.21 g/mol
LogP2.62
Rot. Bonds2

About 2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine

2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine (PubChem CID 90919854) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine
PubChem CID90919854
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine
SMILESC/N=C/C(C)=N/c1ccc(F)cc1
InChIInChI=1S/C10H11FN2/c1-8(7-12-2)13-10-5-3-9(11)4-6-10/h3-7H,1-2H3/b12-7+,13-8+
InChIKeyNYNPUSGSAPSKIT-INOXDZRUSA-N
XLogP2.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine?
The IUPAC name of 2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine (CID 90919854) is 2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine?
The canonical SMILES for 2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine is C/N=C/C(C)=N/c1ccc(F)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine?
The InChIKey is NYNPUSGSAPSKIT-INOXDZRUSA-N. The full InChI is InChI=1S/C10H11FN2/c1-8(7-12-2)13-10-5-3-9(11)4-6-10/h3-7H,1-2H3/b12-7+,13-8+.
What are the key properties of 2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine?
2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine has a molecular weight of 178.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine is sourced from PubChem (CID 90919854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).