(Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine

C9H18F2N2O — CID 167237775

IUPAC(Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine
SMILESCC(N)/C=C\CC(C)(N)OCC(F)F
InChIInChI=1S/C9H18F2N2O/c1-7(12)4-3-5-9(2,13)14-6-8(10)11/h3-4,7-8H,5-6,12-13H2,1-2H3/b4-3-
InChIKeyBZIHFNYJDXONEU-ARJAWSKDSA-N
MW208.25 g/mol
LogP1.24
Rot. Bonds6

About (Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine

(Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine (PubChem CID 167237775) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is (Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine.

Molecular Properties

Compound Name(Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine
PubChem CID167237775
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name(Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine
SMILESCC(N)/C=C\CC(C)(N)OCC(F)F
InChIInChI=1S/C9H18F2N2O/c1-7(12)4-3-5-9(2,13)14-6-8(10)11/h3-4,7-8H,5-6,12-13H2,1-2H3/b4-3-
InChIKeyBZIHFNYJDXONEU-ARJAWSKDSA-N
XLogP1.24
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine?
The IUPAC name of (Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine (CID 167237775) is (Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine.
What is the SMILES notation for (Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine?
The canonical SMILES for (Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine is CC(N)/C=C\CC(C)(N)OCC(F)F.
What is the InChIKey of (Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine?
The InChIKey is BZIHFNYJDXONEU-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-7(12)4-3-5-9(2,13)14-6-8(10)11/h3-4,7-8H,5-6,12-13H2,1-2H3/b4-3-.
What are the key properties of (Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine?
(Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine has a molecular weight of 208.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine is sourced from PubChem (CID 167237775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).