5,5-difluoro-3-hexylpent-2-ene-1,4-diamine

C11H22F2N2 — CID 54552133

IUPAC5,5-difluoro-3-hexylpent-2-ene-1,4-diamine
SMILESCCCCCCC(=CCN)C(N)C(F)F
InChIInChI=1S/C11H22F2N2/c1-2-3-4-5-6-9(7-8-14)10(15)11(12)13/h7,10-11H,2-6,8,14-15H2,1H3
InChIKeyZKPXKNAFYROYJJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.43
Rot. Bonds8

About 5,5-difluoro-3-hexylpent-2-ene-1,4-diamine

5,5-difluoro-3-hexylpent-2-ene-1,4-diamine (PubChem CID 54552133) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5,5-difluoro-3-hexylpent-2-ene-1,4-diamine.

Molecular Properties

Compound Name5,5-difluoro-3-hexylpent-2-ene-1,4-diamine
PubChem CID54552133
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name5,5-difluoro-3-hexylpent-2-ene-1,4-diamine
SMILESCCCCCCC(=CCN)C(N)C(F)F
InChIInChI=1S/C11H22F2N2/c1-2-3-4-5-6-9(7-8-14)10(15)11(12)13/h7,10-11H,2-6,8,14-15H2,1H3
InChIKeyZKPXKNAFYROYJJ-UHFFFAOYSA-N
XLogP2.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-difluoro-3-hexylpent-2-ene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-hexylpent-2-ene-1,4-diamine?
The IUPAC name of 5,5-difluoro-3-hexylpent-2-ene-1,4-diamine (CID 54552133) is 5,5-difluoro-3-hexylpent-2-ene-1,4-diamine.
What is the SMILES notation for 5,5-difluoro-3-hexylpent-2-ene-1,4-diamine?
The canonical SMILES for 5,5-difluoro-3-hexylpent-2-ene-1,4-diamine is CCCCCCC(=CCN)C(N)C(F)F.
What is the InChIKey of 5,5-difluoro-3-hexylpent-2-ene-1,4-diamine?
The InChIKey is ZKPXKNAFYROYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-2-3-4-5-6-9(7-8-14)10(15)11(12)13/h7,10-11H,2-6,8,14-15H2,1H3.
What are the key properties of 5,5-difluoro-3-hexylpent-2-ene-1,4-diamine?
5,5-difluoro-3-hexylpent-2-ene-1,4-diamine has a molecular weight of 220.31 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-hexylpent-2-ene-1,4-diamine is sourced from PubChem (CID 54552133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).