(E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine

C7H14F2N2 — CID 88698593

IUPAC(E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine
SMILESC/C(=C\CN)CC(N)C(F)F
InChIInChI=1S/C7H14F2N2/c1-5(2-3-10)4-6(11)7(8)9/h2,6-7H,3-4,10-11H2,1H3/b5-2+
InChIKeyCCGKDJCMOYXLOU-GORDUTHDSA-N
MW164.20 g/mol
LogP0.87
Rot. Bonds4

About (E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine

(E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine (PubChem CID 88698593) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine.

Molecular Properties

Compound Name(E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine
PubChem CID88698593
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name(E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine
SMILESC/C(=C\CN)CC(N)C(F)F
InChIInChI=1S/C7H14F2N2/c1-5(2-3-10)4-6(11)7(8)9/h2,6-7H,3-4,10-11H2,1H3/b5-2+
InChIKeyCCGKDJCMOYXLOU-GORDUTHDSA-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 (E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine?
The IUPAC name of (E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine (CID 88698593) is (E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine.
What is the SMILES notation for (E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine?
The canonical SMILES for (E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine is C/C(=C\CN)CC(N)C(F)F.
What is the InChIKey of (E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine?
The InChIKey is CCGKDJCMOYXLOU-GORDUTHDSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-5(2-3-10)4-6(11)7(8)9/h2,6-7H,3-4,10-11H2,1H3/b5-2+.
What are the key properties of (E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine?
(E)-6,6-difluoro-3-methylhex-2-ene-1,5-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 (E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine is sourced from PubChem (CID 88698593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).