4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole

C10H12F2O2 — CID 143342063

IUPAC4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole
SMILESC=CC1=C(/C=C(\C)CC)OC(F)(F)O1
InChIInChI=1S/C10H12F2O2/c1-4-7(3)6-9-8(5-2)13-10(11,12)14-9/h5-6H,2,4H2,1,3H3/b7-6+
InChIKeyBSGNUAYWUHEKHO-VOTSOKGWSA-N
MW202.20 g/mol
LogP3.34
Rot. Bonds3

About 4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole

4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole (PubChem CID 143342063) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole.

Molecular Properties

Compound Name4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole
PubChem CID143342063
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole
SMILESC=CC1=C(/C=C(\C)CC)OC(F)(F)O1
InChIInChI=1S/C10H12F2O2/c1-4-7(3)6-9-8(5-2)13-10(11,12)14-9/h5-6H,2,4H2,1,3H3/b7-6+
InChIKeyBSGNUAYWUHEKHO-VOTSOKGWSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 53.34
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-[(E)-2-methylbut-1-enyl]-1,3-dioxole?
The IUPAC name of 4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole (CID 143342063) is 4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole.
What is the SMILES notation for 4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole?
The canonical SMILES for 4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole is C=CC1=C(/C=C(\C)CC)OC(F)(F)O1.
What is the InChIKey of 4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole?
The InChIKey is BSGNUAYWUHEKHO-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-4-7(3)6-9-8(5-2)13-10(11,12)14-9/h5-6H,2,4H2,1,3H3/b7-6+.
What are the key properties of 4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole?
4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole has a molecular weight of 202.20 g/mol, XLogP of 3.34, 3 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-[(E)-2-methylbut-1-enyl]-1,3-dioxole is sourced from PubChem (CID 143342063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).