(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine

C9H14FNO — CID 143306820

IUPAC(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(/OCC)C(=C)F
InChIInChI=1S/C9H14FNO/c1-4-8(6-11)9(7(3)10)12-5-2/h4H,1,3,5-6,11H2,2H3/b9-8-
InChIKeyZDGDODOSPTVHIA-HJWRWDBZSA-N
MW171.21 g/mol
LogP1.90
Rot. Bonds5

About (2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine

(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine (PubChem CID 143306820) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is (2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
PubChem CID143306820
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(/OCC)C(=C)F
InChIInChI=1S/C9H14FNO/c1-4-8(6-11)9(7(3)10)12-5-2/h4H,1,3,5-6,11H2,2H3/b9-8-
InChIKeyZDGDODOSPTVHIA-HJWRWDBZSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine
CID 123394914
(3E)-5-fluoro-4-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 144488234
(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
CID 144992736
(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine
CID 169127401
(2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine
CID 143689086
(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
CID 143904399
(2E,4E)-2-ethyl-5-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienoxy]hexa-2,4-dien-1-amine
CID 144161735
(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine
CID 155749555
(Z)-2-(1-ethoxyethenyl)but-2-en-1-amine
CID 89270592
ethane;(2Z)-2-ethenyl-3-methoxypenta-2,4-dien-1-amine
CID 141975403
(2Z)-2-ethenyl-3-methoxypenta-2,4-dien-1-amine
CID 141975404
(2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine
CID 142018033

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine (CID 143306820) is (2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine is C=C/C(CN)=C(/OCC)C(=C)F.
What is the InChIKey of (2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine?
The InChIKey is ZDGDODOSPTVHIA-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H14FNO/c1-4-8(6-11)9(7(3)10)12-5-2/h4H,1,3,5-6,11H2,2H3/b9-8-.
What are the key properties of (2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine?
(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine has a molecular weight of 171.21 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine is sourced from PubChem (CID 143306820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).