ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol

C10H16F2O2 — CID 145009672

IUPACethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)OCC.CC
InChIInChI=1S/C8H10F2O2.C2H6/c1-4-12-6(3)8(10)7(9)5(2)11;1-2/h11H,2-4H2,1H3;1-2H3/b8-7-;
InChIKeyQYGLDDUKDKTGSC-CFYXSCKTSA-N
MW206.23 g/mol
LogP3.79
Rot. Bonds4

About ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol

ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol (PubChem CID 145009672) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Nameethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol
PubChem CID145009672
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Nameethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)OCC.CC
InChIInChI=1S/C8H10F2O2.C2H6/c1-4-12-6(3)8(10)7(9)5(2)11;1-2/h11H,2-4H2,1H3;1-2H3/b8-7-;
InChIKeyQYGLDDUKDKTGSC-CFYXSCKTSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 53.79
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

(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol
CID 134477251
(3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene
CID 143286431
(3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol
CID 144733771
(2E)-4-(2,2-difluoropropoxy)penta-2,4-dien-2-ol
CID 165394093
(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene
CID 143286467
(3Z)-2-butoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene
CID 144328696
(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene
CID 145009677
butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane
CID 145009669
(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane
CID 145009671
butane;ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol
CID 145009674
butane;(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene;ethane
CID 145009676
butane;(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene;ethane
CID 145009678

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol?
The IUPAC name of ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol (CID 145009672) is ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol.
What is the SMILES notation for ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol?
The canonical SMILES for ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol is C=C(O)/C(F)=C(/F)C(=C)OCC.CC.
What is the InChIKey of ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol?
The InChIKey is QYGLDDUKDKTGSC-CFYXSCKTSA-N. The full InChI is InChI=1S/C8H10F2O2.C2H6/c1-4-12-6(3)8(10)7(9)5(2)11;1-2/h11H,2-4H2,1H3;1-2H3/b8-7-;.
What are the key properties of ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol?
ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol has a molecular weight of 206.23 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol is sourced from PubChem (CID 145009672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).