ethane;2-ethoxy-3-fluorobuta-1,3-diene

C8H15FO — CID 176975991

IUPACethane;2-ethoxy-3-fluorobuta-1,3-diene
SMILESC=C(F)C(=C)OCC.CC
InChIInChI=1S/C6H9FO.C2H6/c1-4-8-6(3)5(2)7;1-2/h2-4H2,1H3;1-2H3
InChIKeyDYVBFTAOUOKRRY-UHFFFAOYSA-N
MW146.20 g/mol
LogP3.05
Rot. Bonds3

About ethane;2-ethoxy-3-fluorobuta-1,3-diene

ethane;2-ethoxy-3-fluorobuta-1,3-diene (PubChem CID 176975991) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is ethane;2-ethoxy-3-fluorobuta-1,3-diene.

Molecular Properties

Compound Nameethane;2-ethoxy-3-fluorobuta-1,3-diene
PubChem CID176975991
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Nameethane;2-ethoxy-3-fluorobuta-1,3-diene
SMILESC=C(F)C(=C)OCC.CC
InChIInChI=1S/C6H9FO.C2H6/c1-4-8-6(3)5(2)7;1-2/h2-4H2,1H3;1-2H3
InChIKeyDYVBFTAOUOKRRY-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene
CID 145009677
ethane;2-ethoxy-3-methylbuta-1,3-diene
CID 144636668
2-chloro-3-ethoxybuta-1,3-diene
CID 102247502
CID 175995571
CID 175995571
1,1-diethoxy-2,2-difluoroethene
CID 154100559
2-fluoro-3-prop-2-enoxybuta-1,3-diene
CID 12036164
1-O-ethyl 2-O-(3-fluoro-2-methylidenebut-3-enyl) oxalate
CID 155053306
(3E)-4-ethoxy-2-fluoro-3-methylhexa-1,3,5-triene
CID 145340423
[(1Z)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 102519993
(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
CID 143875087
ethyl 3-deuterio-2-fluoroprop-2-enoate
CID 88506184
1-[[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 143286437

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-3-fluorobuta-1,3-diene?
The IUPAC name of ethane;2-ethoxy-3-fluorobuta-1,3-diene (CID 176975991) is ethane;2-ethoxy-3-fluorobuta-1,3-diene.
What is the SMILES notation for ethane;2-ethoxy-3-fluorobuta-1,3-diene?
The canonical SMILES for ethane;2-ethoxy-3-fluorobuta-1,3-diene is C=C(F)C(=C)OCC.CC.
What is the InChIKey of ethane;2-ethoxy-3-fluorobuta-1,3-diene?
The InChIKey is DYVBFTAOUOKRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO.C2H6/c1-4-8-6(3)5(2)7;1-2/h2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-ethoxy-3-fluorobuta-1,3-diene?
ethane;2-ethoxy-3-fluorobuta-1,3-diene has a molecular weight of 146.20 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-3-fluorobuta-1,3-diene is sourced from PubChem (CID 176975991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).