(6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine

C12H18FN — CID 166810403

IUPAC(6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine
SMILESC=C/C=C\C=C(\F)CCC(N)C(=C)C
InChIInChI=1S/C12H18FN/c1-4-5-6-7-11(13)8-9-12(14)10(2)3/h4-7,12H,1-2,8-9,14H2,3H3/b6-5-,11-7+
InChIKeyOQFKSGCJCBIQLI-GNLLZQBYSA-N
MW195.28 g/mol
LogP3.27
Rot. Bonds6

About (6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine

(6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine (PubChem CID 166810403) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine.

Molecular Properties

Compound Name(6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine
PubChem CID166810403
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine
SMILESC=C/C=C\C=C(\F)CCC(N)C(=C)C
InChIInChI=1S/C12H18FN/c1-4-5-6-7-11(13)8-9-12(14)10(2)3/h4-7,12H,1-2,8-9,14H2,3H3/b6-5-,11-7+
InChIKeyOQFKSGCJCBIQLI-GNLLZQBYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine?
The IUPAC name of (6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine (CID 166810403) is (6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine.
What is the SMILES notation for (6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine?
The canonical SMILES for (6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine is C=C/C=C\C=C(\F)CCC(N)C(=C)C.
What is the InChIKey of (6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine?
The InChIKey is OQFKSGCJCBIQLI-GNLLZQBYSA-N. The full InChI is InChI=1S/C12H18FN/c1-4-5-6-7-11(13)8-9-12(14)10(2)3/h4-7,12H,1-2,8-9,14H2,3H3/b6-5-,11-7+.
What are the key properties of (6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine?
(6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine has a molecular weight of 195.28 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine is sourced from PubChem (CID 166810403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).