(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine

C10H16FN — CID 90066548

IUPAC(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
SMILESC=C/C(CN)=C(F)\C(=C/C)CC
InChIInChI=1S/C10H16FN/c1-4-8(5-2)10(11)9(6-3)7-12/h4,6H,3,5,7,12H2,1-2H3/b8-4-,10-9-
InChIKeyVWMCKHQXSZVEJO-LSTBLOBISA-N
MW169.24 g/mol
LogP2.71
Rot. Bonds4

About (2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine

(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine (PubChem CID 90066548) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
PubChem CID90066548
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
SMILESC=C/C(CN)=C(F)\C(=C/C)CC
InChIInChI=1S/C10H16FN/c1-4-8(5-2)10(11)9(6-3)7-12/h4,6H,3,5,7,12H2,1-2H3/b8-4-,10-9-
InChIKeyVWMCKHQXSZVEJO-LSTBLOBISA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.71
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 (2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine (CID 90066548) is (2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine is C=C/C(CN)=C(F)\C(=C/C)CC.
What is the InChIKey of (2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine?
The InChIKey is VWMCKHQXSZVEJO-LSTBLOBISA-N. The full InChI is InChI=1S/C10H16FN/c1-4-8(5-2)10(11)9(6-3)7-12/h4,6H,3,5,7,12H2,1-2H3/b8-4-,10-9-.
What are the key properties of (2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine?
(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine is sourced from PubChem (CID 90066548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).