(3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine

C10H15F2N — CID 168926091

IUPAC(3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C(/C)C(C)(F)F)NC
InChIInChI=1S/C10H15F2N/c1-5-6-9(13-4)7-8(2)10(3,11)12/h5-7,13H,1H2,2-4H3/b8-7+,9-6+
InChIKeyYZOXSXJKKMGIAK-KHHFIZIMSA-N
MW187.23 g/mol
LogP2.88
Rot. Bonds4

About (3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine

(3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine (PubChem CID 168926091) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is (3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine
PubChem CID168926091
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name(3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C(/C)C(C)(F)F)NC
InChIInChI=1S/C10H15F2N/c1-5-6-9(13-4)7-8(2)10(3,11)12/h5-7,13H,1H2,2-4H3/b8-7+,9-6+
InChIKeyYZOXSXJKKMGIAK-KHHFIZIMSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine (CID 168926091) is (3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine is C=C/C=C(\C=C(/C)C(C)(F)F)NC.
What is the InChIKey of (3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine?
The InChIKey is YZOXSXJKKMGIAK-KHHFIZIMSA-N. The full InChI is InChI=1S/C10H15F2N/c1-5-6-9(13-4)7-8(2)10(3,11)12/h5-7,13H,1H2,2-4H3/b8-7+,9-6+.
What are the key properties of (3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine?
(3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine has a molecular weight of 187.23 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine is sourced from PubChem (CID 168926091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).