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

C11H20FNO — CID 143673829

IUPACethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(/OCC)C(=C)F.CC
InChIInChI=1S/C9H14FNO.C2H6/c1-4-8(6-11)9(7(3)10)12-5-2;1-2/h4H,1,3,5-6,11H2,2H3;1-2H3/b9-8-;
InChIKeyNNLGVRIQCLPXST-UOQXYWCXSA-N
MW201.28 g/mol
LogP2.93
Rot. Bonds5

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

ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine (PubChem CID 143673829) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
PubChem CID143673829
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Nameethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(/OCC)C(=C)F.CC
InChIInChI=1S/C9H14FNO.C2H6/c1-4-8(6-11)9(7(3)10)12-5-2;1-2/h4H,1,3,5-6,11H2,2H3;1-2H3/b9-8-;
InChIKeyNNLGVRIQCLPXST-UOQXYWCXSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.93
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'}

Analyze ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine
CID 123394914
(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143306820
(2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine
CID 143911634
(3E)-5-fluoro-4-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 144488234
(2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine
CID 145165236
(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
2-Ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine
CID 123179464
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

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine?
The IUPAC name of ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine (CID 143673829) is ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine?
The canonical SMILES for ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine is C=C/C(CN)=C(/OCC)C(=C)F.CC.
What is the InChIKey of ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine?
The InChIKey is NNLGVRIQCLPXST-UOQXYWCXSA-N. The full InChI is InChI=1S/C9H14FNO.C2H6/c1-4-8(6-11)9(7(3)10)12-5-2;1-2/h4H,1,3,5-6,11H2,2H3;1-2H3/b9-8-;.
What are the key properties of ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine?
ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine has a molecular weight of 201.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine is sourced from PubChem (CID 143673829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).