(3-fluoro-4-methylpent-3-en-2-yl)diazene

C6H11FN2 — CID 130256977

IUPAC(3-fluoro-4-methylpent-3-en-2-yl)diazene
SMILES[H]/N=N/C(C)C(F)=C(C)C
InChIInChI=1S/C6H11FN2/c1-4(2)6(7)5(3)9-8/h5,8H,1-3H3/b9-8+
InChIKeyLSWZRRJTFJAGGC-CMDGGOBGSA-N
MW130.17 g/mol
LogP2.67
Rot. Bonds2

About (3-fluoro-4-methylpent-3-en-2-yl)diazene

(3-fluoro-4-methylpent-3-en-2-yl)diazene (PubChem CID 130256977) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (3-fluoro-4-methylpent-3-en-2-yl)diazene.

Molecular Properties

Compound Name(3-fluoro-4-methylpent-3-en-2-yl)diazene
PubChem CID130256977
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(3-fluoro-4-methylpent-3-en-2-yl)diazene
SMILES[H]/N=N/C(C)C(F)=C(C)C
InChIInChI=1S/C6H11FN2/c1-4(2)6(7)5(3)9-8/h5,8H,1-3H3/b9-8+
InChIKeyLSWZRRJTFJAGGC-CMDGGOBGSA-N
XLogP2.67
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylpent-3-en-2-yl)diazene?
The IUPAC name of (3-fluoro-4-methylpent-3-en-2-yl)diazene (CID 130256977) is (3-fluoro-4-methylpent-3-en-2-yl)diazene.
What is the SMILES notation for (3-fluoro-4-methylpent-3-en-2-yl)diazene?
The canonical SMILES for (3-fluoro-4-methylpent-3-en-2-yl)diazene is [H]/N=N/C(C)C(F)=C(C)C.
What is the InChIKey of (3-fluoro-4-methylpent-3-en-2-yl)diazene?
The InChIKey is LSWZRRJTFJAGGC-CMDGGOBGSA-N. The full InChI is InChI=1S/C6H11FN2/c1-4(2)6(7)5(3)9-8/h5,8H,1-3H3/b9-8+.
What are the key properties of (3-fluoro-4-methylpent-3-en-2-yl)diazene?
(3-fluoro-4-methylpent-3-en-2-yl)diazene has a molecular weight of 130.17 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylpent-3-en-2-yl)diazene is sourced from PubChem (CID 130256977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).