(3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine

C13H21F2N — CID 88998055

IUPAC(3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine
SMILESC=C/C(=C\C=C(/C)C(C)N)CCC(C)(F)F
InChIInChI=1S/C13H21F2N/c1-5-12(8-9-13(4,14)15)7-6-10(2)11(3)16/h5-7,11H,1,8-9,16H2,2-4H3/b10-6+,12-7+
InChIKeyOXYAOPPMLDXQFZ-QXZILWSFSA-N
MW229.31 g/mol
LogP3.83
Rot. Bonds6

About (3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine

(3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine (PubChem CID 88998055) has the molecular formula C13H21F2N and a molecular weight of 229.31 g/mol. Its IUPAC name is (3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine
PubChem CID88998055
Molecular FormulaC13H21F2N
Molecular Weight229.31 g/mol
Exact Mass229.16
IUPAC Name(3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine
SMILESC=C/C(=C\C=C(/C)C(C)N)CCC(C)(F)F
InChIInChI=1S/C13H21F2N/c1-5-12(8-9-13(4,14)15)7-6-10(2)11(3)16/h5-7,11H,1,8-9,16H2,2-4H3/b10-6+,12-7+
InChIKeyOXYAOPPMLDXQFZ-QXZILWSFSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.83
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,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine?
The IUPAC name of (3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine (CID 88998055) is (3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine.
What is the SMILES notation for (3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine?
The canonical SMILES for (3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine is C=C/C(=C\C=C(/C)C(C)N)CCC(C)(F)F.
What is the InChIKey of (3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine?
The InChIKey is OXYAOPPMLDXQFZ-QXZILWSFSA-N. The full InChI is InChI=1S/C13H21F2N/c1-5-12(8-9-13(4,14)15)7-6-10(2)11(3)16/h5-7,11H,1,8-9,16H2,2-4H3/b10-6+,12-7+.
What are the key properties of (3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine?
(3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine has a molecular weight of 229.31 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine is sourced from PubChem (CID 88998055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).