(E)-5-fluoro-3-methylpent-2-ene-1,4-diamine

C6H13FN2 — CID 22825119

IUPAC(E)-5-fluoro-3-methylpent-2-ene-1,4-diamine
SMILESC/C(=C\CN)C(N)CF
InChIInChI=1S/C6H13FN2/c1-5(2-3-8)6(9)4-7/h2,6H,3-4,8-9H2,1H3/b5-2+
InChIKeyNSFILQBRXPDXJG-GORDUTHDSA-N
MW132.18 g/mol
LogP0.19
Rot. Bonds3

About (E)-5-fluoro-3-methylpent-2-ene-1,4-diamine

(E)-5-fluoro-3-methylpent-2-ene-1,4-diamine (PubChem CID 22825119) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (E)-5-fluoro-3-methylpent-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-5-fluoro-3-methylpent-2-ene-1,4-diamine
PubChem CID22825119
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(E)-5-fluoro-3-methylpent-2-ene-1,4-diamine
SMILESC/C(=C\CN)C(N)CF
InChIInChI=1S/C6H13FN2/c1-5(2-3-8)6(9)4-7/h2,6H,3-4,8-9H2,1H3/b5-2+
InChIKeyNSFILQBRXPDXJG-GORDUTHDSA-N
XLogP0.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-3-methylpent-2-ene-1,4-diamine?
The IUPAC name of (E)-5-fluoro-3-methylpent-2-ene-1,4-diamine (CID 22825119) is (E)-5-fluoro-3-methylpent-2-ene-1,4-diamine.
What is the SMILES notation for (E)-5-fluoro-3-methylpent-2-ene-1,4-diamine?
The canonical SMILES for (E)-5-fluoro-3-methylpent-2-ene-1,4-diamine is C/C(=C\CN)C(N)CF.
What is the InChIKey of (E)-5-fluoro-3-methylpent-2-ene-1,4-diamine?
The InChIKey is NSFILQBRXPDXJG-GORDUTHDSA-N. The full InChI is InChI=1S/C6H13FN2/c1-5(2-3-8)6(9)4-7/h2,6H,3-4,8-9H2,1H3/b5-2+.
What are the key properties of (E)-5-fluoro-3-methylpent-2-ene-1,4-diamine?
(E)-5-fluoro-3-methylpent-2-ene-1,4-diamine has a molecular weight of 132.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-3-methylpent-2-ene-1,4-diamine is sourced from PubChem (CID 22825119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).