ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane

C10H15FO2 — CID 156867966

IUPACethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane
SMILESC=C(F)/C(C)=C1/OCOC1=C.CC
InChIInChI=1S/C8H9FO2.C2H6/c1-5(6(2)9)8-7(3)10-4-11-8;1-2/h2-4H2,1H3;1-2H3/b8-5+;
InChIKeySCTCAMAPDCDJGW-HAAWTFQLSA-N
MW186.23 g/mol
LogP3.29
Rot. Bonds1

About ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane

ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane (PubChem CID 156867966) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane.

Molecular Properties

Compound Nameethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane
PubChem CID156867966
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Nameethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane
SMILESC=C(F)/C(C)=C1/OCOC1=C.CC
InChIInChI=1S/C8H9FO2.C2H6/c1-5(6(2)9)8-7(3)10-4-11-8;1-2/h2-4H2,1H3;1-2H3/b8-5+;
InChIKeySCTCAMAPDCDJGW-HAAWTFQLSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-bis(prop-1-en-2-yl)-1,3-dioxole
CID 144533747
3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine
CID 143759971
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 143256828
ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one
CID 143691633
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
3-fluorobut-3-en-2-one
CID 158766969
(6Z)-4-bromo-2-methyl-6-(5-methylidene-1,3-dioxolan-4-ylidene)-4,5-dihydro-1H-pyrimidine
CID 166889612
ethane;(2E)-2-(3-methylbut-3-en-2-ylidene)oxolane
CID 171788325
ethane;tris(2-methylprop-1-ene)
CID 144520420
(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane
CID 143383113
5-prop-1-en-2-yl-1,3-dioxan-2-one
CID 58893193
3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan
CID 91266850

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane?
The IUPAC name of ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane (CID 156867966) is ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane.
What is the SMILES notation for ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane?
The canonical SMILES for ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane is C=C(F)/C(C)=C1/OCOC1=C.CC.
What is the InChIKey of ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane?
The InChIKey is SCTCAMAPDCDJGW-HAAWTFQLSA-N. The full InChI is InChI=1S/C8H9FO2.C2H6/c1-5(6(2)9)8-7(3)10-4-11-8;1-2/h2-4H2,1H3;1-2H3/b8-5+;.
What are the key properties of ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane?
ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane has a molecular weight of 186.23 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane is sourced from PubChem (CID 156867966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).