(1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine

C11H14FN — CID 146588157

IUPAC(1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine
SMILESC=C/C(=C\N)C(=C)/C=C\C(C)=C/F
InChIInChI=1S/C11H14FN/c1-4-11(8-13)10(3)6-5-9(2)7-12/h4-8H,1,3,13H2,2H3/b6-5-,9-7-,11-8+
InChIKeyFNAZHRJTKXWNMC-UUKRZCGXSA-N
MW179.24 g/mol
LogP3.00
Rot. Bonds4

About (1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine

(1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine (PubChem CID 146588157) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name(1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine
PubChem CID146588157
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine
SMILESC=C/C(=C\N)C(=C)/C=C\C(C)=C/F
InChIInChI=1S/C11H14FN/c1-4-11(8-13)10(3)6-5-9(2)7-12/h4-8H,1,3,13H2,2H3/b6-5-,9-7-,11-8+
InChIKeyFNAZHRJTKXWNMC-UUKRZCGXSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.00
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 (1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine?
The IUPAC name of (1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine (CID 146588157) is (1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine.
What is the SMILES notation for (1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine?
The canonical SMILES for (1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine is C=C/C(=C\N)C(=C)/C=C\C(C)=C/F.
What is the InChIKey of (1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine?
The InChIKey is FNAZHRJTKXWNMC-UUKRZCGXSA-N. The full InChI is InChI=1S/C11H14FN/c1-4-11(8-13)10(3)6-5-9(2)7-12/h4-8H,1,3,13H2,2H3/b6-5-,9-7-,11-8+.
What are the key properties of (1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine?
(1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine has a molecular weight of 179.24 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z,6Z)-2-ethenyl-7-fluoro-6-methyl-3-methylidenehepta-1,4,6-trien-1-amine is sourced from PubChem (CID 146588157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).