(E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine

C8H16F2N2 — CID 88697788

IUPAC(E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine
SMILESCC/C(=C\CN)CC(N)C(F)F
InChIInChI=1S/C8H16F2N2/c1-2-6(3-4-11)5-7(12)8(9)10/h3,7-8H,2,4-5,11-12H2,1H3/b6-3+
InChIKeyLIQZJSAPTIMJFK-ZZXKWVIFSA-N
MW178.23 g/mol
LogP1.26
Rot. Bonds5

About (E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine

(E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine (PubChem CID 88697788) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine.

Molecular Properties

Compound Name(E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine
PubChem CID88697788
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name(E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine
SMILESCC/C(=C\CN)CC(N)C(F)F
InChIInChI=1S/C8H16F2N2/c1-2-6(3-4-11)5-7(12)8(9)10/h3,7-8H,2,4-5,11-12H2,1H3/b6-3+
InChIKeyLIQZJSAPTIMJFK-ZZXKWVIFSA-N
XLogP1.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.26
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)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine?
The IUPAC name of (E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine (CID 88697788) is (E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine.
What is the SMILES notation for (E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine?
The canonical SMILES for (E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine is CC/C(=C\CN)CC(N)C(F)F.
What is the InChIKey of (E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine?
The InChIKey is LIQZJSAPTIMJFK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-2-6(3-4-11)5-7(12)8(9)10/h3,7-8H,2,4-5,11-12H2,1H3/b6-3+.
What are the key properties of (E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine?
(E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine has a molecular weight of 178.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine is sourced from PubChem (CID 88697788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).