5-fluoro-5-methylhex-2-ene-1,4-diimine

C7H11FN2 — CID 123164030

IUPAC5-fluoro-5-methylhex-2-ene-1,4-diimine
SMILES[H]/N=C/C=C/C(=N\[H])C(C)(C)F
InChIInChI=1S/C7H11FN2/c1-7(2,8)6(10)4-3-5-9/h3-5,9-10H,1-2H3/b4-3?,9-5+,10-6+
InChIKeyVLSZDIIDKATEFK-LVYVESJWSA-N
MW142.18 g/mol
LogP1.96
Rot. Bonds3

About 5-fluoro-5-methylhex-2-ene-1,4-diimine

5-fluoro-5-methylhex-2-ene-1,4-diimine (PubChem CID 123164030) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 5-fluoro-5-methylhex-2-ene-1,4-diimine.

Molecular Properties

Compound Name5-fluoro-5-methylhex-2-ene-1,4-diimine
PubChem CID123164030
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name5-fluoro-5-methylhex-2-ene-1,4-diimine
SMILES[H]/N=C/C=C/C(=N\[H])C(C)(C)F
InChIInChI=1S/C7H11FN2/c1-7(2,8)6(10)4-3-5-9/h3-5,9-10H,1-2H3/b4-3?,9-5+,10-6+
InChIKeyVLSZDIIDKATEFK-LVYVESJWSA-N
XLogP1.96
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.96
H-Bond Donors ≤ 52
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 5-fluoro-5-methylhex-2-ene-1,4-diimine?
The IUPAC name of 5-fluoro-5-methylhex-2-ene-1,4-diimine (CID 123164030) is 5-fluoro-5-methylhex-2-ene-1,4-diimine.
What is the SMILES notation for 5-fluoro-5-methylhex-2-ene-1,4-diimine?
The canonical SMILES for 5-fluoro-5-methylhex-2-ene-1,4-diimine is [H]/N=C/C=C/C(=N\[H])C(C)(C)F.
What is the InChIKey of 5-fluoro-5-methylhex-2-ene-1,4-diimine?
The InChIKey is VLSZDIIDKATEFK-LVYVESJWSA-N. The full InChI is InChI=1S/C7H11FN2/c1-7(2,8)6(10)4-3-5-9/h3-5,9-10H,1-2H3/b4-3?,9-5+,10-6+.
What are the key properties of 5-fluoro-5-methylhex-2-ene-1,4-diimine?
5-fluoro-5-methylhex-2-ene-1,4-diimine has a molecular weight of 142.18 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-methylhex-2-ene-1,4-diimine is sourced from PubChem (CID 123164030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).