(3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol

C8H11FINO — CID 88579416

IUPAC(3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol
SMILESC=C(F)/C(=C(I)\C=C/N)C(C)O
InChIInChI=1S/C8H11FINO/c1-5(9)8(6(2)12)7(10)3-4-11/h3-4,6,12H,1,11H2,2H3/b4-3-,8-7-
InChIKeyXHQVGLLKGCAOCX-KPDBFRNYSA-N
MW283.08 g/mol
LogP2.01
Rot. Bonds3

About (3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol

(3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol (PubChem CID 88579416) has the molecular formula C8H11FINO and a molecular weight of 283.08 g/mol. Its IUPAC name is (3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol
PubChem CID88579416
Molecular FormulaC8H11FINO
Molecular Weight283.08 g/mol
Exact Mass282.99
IUPAC Name(3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol
SMILESC=C(F)/C(=C(I)\C=C/N)C(C)O
InChIInChI=1S/C8H11FINO/c1-5(9)8(6(2)12)7(10)3-4-11/h3-4,6,12H,1,11H2,2H3/b4-3-,8-7-
InChIKeyXHQVGLLKGCAOCX-KPDBFRNYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol?
The IUPAC name of (3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol (CID 88579416) is (3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol.
What is the SMILES notation for (3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol?
The canonical SMILES for (3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol is C=C(F)/C(=C(I)\C=C/N)C(C)O.
What is the InChIKey of (3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol?
The InChIKey is XHQVGLLKGCAOCX-KPDBFRNYSA-N. The full InChI is InChI=1S/C8H11FINO/c1-5(9)8(6(2)12)7(10)3-4-11/h3-4,6,12H,1,11H2,2H3/b4-3-,8-7-.
What are the key properties of (3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol?
(3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol has a molecular weight of 283.08 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-amino-3-(1-fluoroethenyl)-4-iodohexa-3,5-dien-2-ol is sourced from PubChem (CID 88579416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).