(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine

C8H12FNO — CID 169127401

IUPAC(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine
SMILESC=C/C(OC)=C(/CN)C(=C)F
InChIInChI=1S/C8H12FNO/c1-4-8(11-3)7(5-10)6(2)9/h4H,1-2,5,10H2,3H3/b8-7+
InChIKeyFXZXJDLVLJUFHR-BQYQJAHWSA-N
MW157.19 g/mol
LogP1.51
Rot. Bonds4

About (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine

(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine (PubChem CID 169127401) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine
PubChem CID169127401
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine
SMILESC=C/C(OC)=C(/CN)C(=C)F
InChIInChI=1S/C8H12FNO/c1-4-8(11-3)7(5-10)6(2)9/h4H,1-2,5,10H2,3H3/b8-7+
InChIKeyFXZXJDLVLJUFHR-BQYQJAHWSA-N
XLogP1.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.51
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
(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143306820
(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
(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
(1Z,3E)-4-methoxy-3-methylhexa-1,3,5-trien-1-amine
CID 89205984
2-Ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine
CID 123179464
3-Methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
(3E)-5-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 138569828
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 (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine (CID 169127401) is (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine is C=C/C(OC)=C(/CN)C(=C)F.
What is the InChIKey of (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine?
The InChIKey is FXZXJDLVLJUFHR-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H12FNO/c1-4-8(11-3)7(5-10)6(2)9/h4H,1-2,5,10H2,3H3/b8-7+.
What are the key properties of (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine?
(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine has a molecular weight of 157.19 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine is sourced from PubChem (CID 169127401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).