(E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine

C12H24F2N2 — CID 88698954

IUPAC(E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine
SMILESCCCCCC/C(=C\CC(N)C(F)F)CN
InChIInChI=1S/C12H24F2N2/c1-2-3-4-5-6-10(9-15)7-8-11(16)12(13)14/h7,11-12H,2-6,8-9,15-16H2,1H3/b10-7+
InChIKeyNSRBEMBIAUAIGA-JXMROGBWSA-N
MW234.33 g/mol
LogP2.82
Rot. Bonds9

About (E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine

(E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine (PubChem CID 88698954) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is (E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine.

Molecular Properties

Compound Name(E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine
PubChem CID88698954
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name(E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine
SMILESCCCCCC/C(=C\CC(N)C(F)F)CN
InChIInChI=1S/C12H24F2N2/c1-2-3-4-5-6-10(9-15)7-8-11(16)12(13)14/h7,11-12H,2-6,8-9,15-16H2,1H3/b10-7+
InChIKeyNSRBEMBIAUAIGA-JXMROGBWSA-N
XLogP2.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.82
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine?
The IUPAC name of (E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine (CID 88698954) is (E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine.
What is the SMILES notation for (E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine?
The canonical SMILES for (E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine is CCCCCC/C(=C\CC(N)C(F)F)CN.
What is the InChIKey of (E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine?
The InChIKey is NSRBEMBIAUAIGA-JXMROGBWSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-2-3-4-5-6-10(9-15)7-8-11(16)12(13)14/h7,11-12H,2-6,8-9,15-16H2,1H3/b10-7+.
What are the key properties of (E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine?
(E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine has a molecular weight of 234.33 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine is sourced from PubChem (CID 88698954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).