3-N-benzhydrylidene-5-fluoropentane-2,3-diimine

C18H19FN2 — CID 130255227

IUPAC3-N-benzhydrylidene-5-fluoropentane-2,3-diimine
SMILES[H]/N=C(\C)C(CCF)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19FN2/c1-14(20)17(12-13-19)21-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,20H,12-13H2,1H3/b20-14+
InChIKeyJSRBXKGDVHJWJX-XSFVSMFZSA-N
MW282.36 g/mol
LogP4.29
Rot. Bonds6

About 3-N-benzhydrylidene-5-fluoropentane-2,3-diimine

3-N-benzhydrylidene-5-fluoropentane-2,3-diimine (PubChem CID 130255227) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-N-benzhydrylidene-5-fluoropentane-2,3-diimine.

Molecular Properties

Compound Name3-N-benzhydrylidene-5-fluoropentane-2,3-diimine
PubChem CID130255227
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name3-N-benzhydrylidene-5-fluoropentane-2,3-diimine
SMILES[H]/N=C(\C)C(CCF)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19FN2/c1-14(20)17(12-13-19)21-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,20H,12-13H2,1H3/b20-14+
InChIKeyJSRBXKGDVHJWJX-XSFVSMFZSA-N
XLogP4.29
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
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 3-N-benzhydrylidene-5-fluoropentane-2,3-diimine?
The IUPAC name of 3-N-benzhydrylidene-5-fluoropentane-2,3-diimine (CID 130255227) is 3-N-benzhydrylidene-5-fluoropentane-2,3-diimine.
What is the SMILES notation for 3-N-benzhydrylidene-5-fluoropentane-2,3-diimine?
The canonical SMILES for 3-N-benzhydrylidene-5-fluoropentane-2,3-diimine is [H]/N=C(\C)C(CCF)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-N-benzhydrylidene-5-fluoropentane-2,3-diimine?
The InChIKey is JSRBXKGDVHJWJX-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H19FN2/c1-14(20)17(12-13-19)21-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,20H,12-13H2,1H3/b20-14+.
What are the key properties of 3-N-benzhydrylidene-5-fluoropentane-2,3-diimine?
3-N-benzhydrylidene-5-fluoropentane-2,3-diimine has a molecular weight of 282.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzhydrylidene-5-fluoropentane-2,3-diimine is sourced from PubChem (CID 130255227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).