4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole

C6H6F2O2 — CID 123343445

IUPAC4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole
SMILESC=CC1=C(C)OC(F)(F)O1
InChIInChI=1S/C6H6F2O2/c1-3-5-4(2)9-6(7,8)10-5/h3H,1H2,2H3
InChIKeyITLPQINODMHMTD-UHFFFAOYSA-N
MW148.11 g/mol
LogP2.00
Rot. Bonds1

About 4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole

4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole (PubChem CID 123343445) has the molecular formula C6H6F2O2 and a molecular weight of 148.11 g/mol. Its IUPAC name is 4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole.

Molecular Properties

Compound Name4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole
PubChem CID123343445
Molecular FormulaC6H6F2O2
Molecular Weight148.11 g/mol
Exact Mass148.03
IUPAC Name4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole
SMILESC=CC1=C(C)OC(F)(F)O1
InChIInChI=1S/C6H6F2O2/c1-3-5-4(2)9-6(7,8)10-5/h3H,1H2,2H3
InChIKeyITLPQINODMHMTD-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole?
The IUPAC name of 4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole (CID 123343445) is 4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole.
What is the SMILES notation for 4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole?
The canonical SMILES for 4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole is C=CC1=C(C)OC(F)(F)O1.
What is the InChIKey of 4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole?
The InChIKey is ITLPQINODMHMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O2/c1-3-5-4(2)9-6(7,8)10-5/h3H,1H2,2H3.
What are the key properties of 4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole?
4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole has a molecular weight of 148.11 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-difluoro-5-methyl-1,3-dioxole is sourced from PubChem (CID 123343445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).