(2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine

C15H24FN — CID 170075091

IUPAC(2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine
SMILESC/C=C(CCC)\C(C)=C/C(C)=C(N)\C(F)=C/C
InChIInChI=1S/C15H24FN/c1-6-9-13(7-2)11(4)10-12(5)15(17)14(16)8-3/h7-8,10H,6,9,17H2,1-5H3/b11-10-,13-7-,14-8+,15-12+
InChIKeyPWSSRHUYTPLKSD-HUYCBOACSA-N
MW237.36 g/mol
LogP4.79
Rot. Bonds5

About (2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine

(2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine (PubChem CID 170075091) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is (2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine.

Molecular Properties

Compound Name(2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine
PubChem CID170075091
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name(2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine
SMILESC/C=C(CCC)\C(C)=C/C(C)=C(N)\C(F)=C/C
InChIInChI=1S/C15H24FN/c1-6-9-13(7-2)11(4)10-12(5)15(17)14(16)8-3/h7-8,10H,6,9,17H2,1-5H3/b11-10-,13-7-,14-8+,15-12+
InChIKeyPWSSRHUYTPLKSD-HUYCBOACSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.79
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 (2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine?
The IUPAC name of (2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine (CID 170075091) is (2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine.
What is the SMILES notation for (2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine?
The canonical SMILES for (2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine is C/C=C(CCC)\C(C)=C/C(C)=C(N)\C(F)=C/C.
What is the InChIKey of (2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine?
The InChIKey is PWSSRHUYTPLKSD-HUYCBOACSA-N. The full InChI is InChI=1S/C15H24FN/c1-6-9-13(7-2)11(4)10-12(5)15(17)14(16)8-3/h7-8,10H,6,9,17H2,1-5H3/b11-10-,13-7-,14-8+,15-12+.
What are the key properties of (2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine?
(2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine has a molecular weight of 237.36 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8Z)-8-ethylidene-3-fluoro-5,7-dimethylundeca-2,4,6-trien-4-amine is sourced from PubChem (CID 170075091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).