2-ethyl-5,5-difluoropent-2-ene-1,4-diamine

C7H14F2N2 — CID 54162506

IUPAC2-ethyl-5,5-difluoropent-2-ene-1,4-diamine
SMILESCCC(=CC(N)C(F)F)CN
InChIInChI=1S/C7H14F2N2/c1-2-5(4-10)3-6(11)7(8)9/h3,6-7H,2,4,10-11H2,1H3
InChIKeyOPKOFPMMDLTOCV-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.87
Rot. Bonds4

About 2-ethyl-5,5-difluoropent-2-ene-1,4-diamine

2-ethyl-5,5-difluoropent-2-ene-1,4-diamine (PubChem CID 54162506) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-ethyl-5,5-difluoropent-2-ene-1,4-diamine.

Molecular Properties

Compound Name2-ethyl-5,5-difluoropent-2-ene-1,4-diamine
PubChem CID54162506
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name2-ethyl-5,5-difluoropent-2-ene-1,4-diamine
SMILESCCC(=CC(N)C(F)F)CN
InChIInChI=1S/C7H14F2N2/c1-2-5(4-10)3-6(11)7(8)9/h3,6-7H,2,4,10-11H2,1H3
InChIKeyOPKOFPMMDLTOCV-UHFFFAOYSA-N
XLogP0.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.87
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 2-ethyl-5,5-difluoropent-2-ene-1,4-diamine?
The IUPAC name of 2-ethyl-5,5-difluoropent-2-ene-1,4-diamine (CID 54162506) is 2-ethyl-5,5-difluoropent-2-ene-1,4-diamine.
What is the SMILES notation for 2-ethyl-5,5-difluoropent-2-ene-1,4-diamine?
The canonical SMILES for 2-ethyl-5,5-difluoropent-2-ene-1,4-diamine is CCC(=CC(N)C(F)F)CN.
What is the InChIKey of 2-ethyl-5,5-difluoropent-2-ene-1,4-diamine?
The InChIKey is OPKOFPMMDLTOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-2-5(4-10)3-6(11)7(8)9/h3,6-7H,2,4,10-11H2,1H3.
What are the key properties of 2-ethyl-5,5-difluoropent-2-ene-1,4-diamine?
2-ethyl-5,5-difluoropent-2-ene-1,4-diamine has a molecular weight of 164.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-difluoropent-2-ene-1,4-diamine is sourced from PubChem (CID 54162506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).