1-fluorohex-3-ene-2,5-diamine

C6H13FN2 — CID 54043779

IUPAC1-fluorohex-3-ene-2,5-diamine
SMILESCC(N)C=CC(N)CF
InChIInChI=1S/C6H13FN2/c1-5(8)2-3-6(9)4-7/h2-3,5-6H,4,8-9H2,1H3
InChIKeyLODPZCCHTOTZKQ-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.19
Rot. Bonds3

About 1-fluorohex-3-ene-2,5-diamine

1-fluorohex-3-ene-2,5-diamine (PubChem CID 54043779) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-fluorohex-3-ene-2,5-diamine.

Molecular Properties

Compound Name1-fluorohex-3-ene-2,5-diamine
PubChem CID54043779
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name1-fluorohex-3-ene-2,5-diamine
SMILESCC(N)C=CC(N)CF
InChIInChI=1S/C6H13FN2/c1-5(8)2-3-6(9)4-7/h2-3,5-6H,4,8-9H2,1H3
InChIKeyLODPZCCHTOTZKQ-UHFFFAOYSA-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 1-fluorohex-3-ene-2,5-diamine?
The IUPAC name of 1-fluorohex-3-ene-2,5-diamine (CID 54043779) is 1-fluorohex-3-ene-2,5-diamine.
What is the SMILES notation for 1-fluorohex-3-ene-2,5-diamine?
The canonical SMILES for 1-fluorohex-3-ene-2,5-diamine is CC(N)C=CC(N)CF.
What is the InChIKey of 1-fluorohex-3-ene-2,5-diamine?
The InChIKey is LODPZCCHTOTZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-5(8)2-3-6(9)4-7/h2-3,5-6H,4,8-9H2,1H3.
What are the key properties of 1-fluorohex-3-ene-2,5-diamine?
1-fluorohex-3-ene-2,5-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 1-fluorohex-3-ene-2,5-diamine is sourced from PubChem (CID 54043779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).