(4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine

C12H21F2N — CID 130243333

IUPAC(4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine
SMILESCC/C(=C\C=C(\N)C(C)CC)C(C)(F)F
InChIInChI=1S/C12H21F2N/c1-5-9(3)11(15)8-7-10(6-2)12(4,13)14/h7-9H,5-6,15H2,1-4H3/b10-7+,11-8+
InChIKeyHDBGLOJGBWOWMZ-AMMQDNIMSA-N
MW217.30 g/mol
LogP3.87
Rot. Bonds5

About (4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine

(4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine (PubChem CID 130243333) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is (4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine.

Molecular Properties

Compound Name(4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine
PubChem CID130243333
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name(4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine
SMILESCC/C(=C\C=C(\N)C(C)CC)C(C)(F)F
InChIInChI=1S/C12H21F2N/c1-5-9(3)11(15)8-7-10(6-2)12(4,13)14/h7-9H,5-6,15H2,1-4H3/b10-7+,11-8+
InChIKeyHDBGLOJGBWOWMZ-AMMQDNIMSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.87
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 (4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine?
The IUPAC name of (4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine (CID 130243333) is (4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine.
What is the SMILES notation for (4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine?
The canonical SMILES for (4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine is CC/C(=C\C=C(\N)C(C)CC)C(C)(F)F.
What is the InChIKey of (4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine?
The InChIKey is HDBGLOJGBWOWMZ-AMMQDNIMSA-N. The full InChI is InChI=1S/C12H21F2N/c1-5-9(3)11(15)8-7-10(6-2)12(4,13)14/h7-9H,5-6,15H2,1-4H3/b10-7+,11-8+.
What are the key properties of (4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine?
(4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine has a molecular weight of 217.30 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-7-ethyl-8,8-difluoro-3-methylnona-4,6-dien-4-amine is sourced from PubChem (CID 130243333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).