(2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine

C16H30FN — CID 167048811

IUPAC(2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine
SMILESC/C=C(/N)CC/C=C(/CF)C(C)(CC)CCCC
InChIInChI=1S/C16H30FN/c1-5-8-12-16(4,7-3)14(13-17)10-9-11-15(18)6-2/h6,10H,5,7-9,11-13,18H2,1-4H3/b14-10-,15-6+
InChIKeyFJSSONNRSBAKTI-ZZPDRKNWSA-N
MW255.42 g/mol
LogP5.13
Rot. Bonds9

About (2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine

(2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine (PubChem CID 167048811) has the molecular formula C16H30FN and a molecular weight of 255.42 g/mol. Its IUPAC name is (2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine.

Molecular Properties

Compound Name(2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine
PubChem CID167048811
Molecular FormulaC16H30FN
Molecular Weight255.42 g/mol
Exact Mass255.24
IUPAC Name(2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine
SMILESC/C=C(/N)CC/C=C(/CF)C(C)(CC)CCCC
InChIInChI=1S/C16H30FN/c1-5-8-12-16(4,7-3)14(13-17)10-9-11-15(18)6-2/h6,10H,5,7-9,11-13,18H2,1-4H3/b14-10-,15-6+
InChIKeyFJSSONNRSBAKTI-ZZPDRKNWSA-N
XLogP5.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine?
The IUPAC name of (2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine (CID 167048811) is (2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine.
What is the SMILES notation for (2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine?
The canonical SMILES for (2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine is C/C=C(/N)CC/C=C(/CF)C(C)(CC)CCCC.
What is the InChIKey of (2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine?
The InChIKey is FJSSONNRSBAKTI-ZZPDRKNWSA-N. The full InChI is InChI=1S/C16H30FN/c1-5-8-12-16(4,7-3)14(13-17)10-9-11-15(18)6-2/h6,10H,5,7-9,11-13,18H2,1-4H3/b14-10-,15-6+.
What are the key properties of (2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine?
(2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine has a molecular weight of 255.42 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-8-ethyl-7-(fluoromethyl)-8-methyldodeca-2,6-dien-3-amine is sourced from PubChem (CID 167048811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).