4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane

C10H18F2O2 — CID 163896835

IUPAC4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane
SMILESCCC1OC(F)(F)OC1C(C)(C)CC
InChIInChI=1S/C10H18F2O2/c1-5-7-8(9(3,4)6-2)14-10(11,12)13-7/h7-8H,5-6H2,1-4H3
InChIKeyQGJORPRPYTTYFY-UHFFFAOYSA-N
MW208.25 g/mol
LogP3.17
Rot. Bonds3

About 4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane

4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane (PubChem CID 163896835) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane
PubChem CID163896835
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane
SMILESCCC1OC(F)(F)OC1C(C)(C)CC
InChIInChI=1S/C10H18F2O2/c1-5-7-8(9(3,4)6-2)14-10(11,12)13-7/h7-8H,5-6H2,1-4H3
InChIKeyQGJORPRPYTTYFY-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane?
The IUPAC name of 4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane (CID 163896835) is 4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane?
The canonical SMILES for 4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane is CCC1OC(F)(F)OC1C(C)(C)CC.
What is the InChIKey of 4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane?
The InChIKey is QGJORPRPYTTYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-5-7-8(9(3,4)6-2)14-10(11,12)13-7/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane?
4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane has a molecular weight of 208.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 163896835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).