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

C6H12F2N2 — CID 54087168

IUPAC5,5-difluoro-3-methylpent-2-ene-1,4-diamine
SMILESCC(=CCN)C(N)C(F)F
InChIInChI=1S/C6H12F2N2/c1-4(2-3-9)5(10)6(7)8/h2,5-6H,3,9-10H2,1H3
InChIKeyMRHDOIFCDNDWHI-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.48
Rot. Bonds3

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

5,5-difluoro-3-methylpent-2-ene-1,4-diamine (PubChem CID 54087168) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 5,5-difluoro-3-methylpent-2-ene-1,4-diamine.

Molecular Properties

Compound Name5,5-difluoro-3-methylpent-2-ene-1,4-diamine
PubChem CID54087168
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name5,5-difluoro-3-methylpent-2-ene-1,4-diamine
SMILESCC(=CCN)C(N)C(F)F
InChIInChI=1S/C6H12F2N2/c1-4(2-3-9)5(10)6(7)8/h2,5-6H,3,9-10H2,1H3
InChIKeyMRHDOIFCDNDWHI-UHFFFAOYSA-N
XLogP0.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.48
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 5,5-difluoro-3-methylpent-2-ene-1,4-diamine?
The IUPAC name of 5,5-difluoro-3-methylpent-2-ene-1,4-diamine (CID 54087168) is 5,5-difluoro-3-methylpent-2-ene-1,4-diamine.
What is the SMILES notation for 5,5-difluoro-3-methylpent-2-ene-1,4-diamine?
The canonical SMILES for 5,5-difluoro-3-methylpent-2-ene-1,4-diamine is CC(=CCN)C(N)C(F)F.
What is the InChIKey of 5,5-difluoro-3-methylpent-2-ene-1,4-diamine?
The InChIKey is MRHDOIFCDNDWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-4(2-3-9)5(10)6(7)8/h2,5-6H,3,9-10H2,1H3.
What are the key properties of 5,5-difluoro-3-methylpent-2-ene-1,4-diamine?
5,5-difluoro-3-methylpent-2-ene-1,4-diamine has a molecular weight of 150.17 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-methylpent-2-ene-1,4-diamine is sourced from PubChem (CID 54087168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).