4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane

C10H16F4O2 — CID 90798239

IUPAC4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane
SMILESCC(C)(C)CCC1(F)OC(F)(F)OC1(C)F
InChIInChI=1S/C10H16F4O2/c1-7(2,3)5-6-9(12)8(4,11)15-10(13,14)16-9/h5-6H2,1-4H3
InChIKeyVMVKNYINZJKNNC-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.76
Rot. Bonds2

About 4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane

4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane (PubChem CID 90798239) has the molecular formula C10H16F4O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane
PubChem CID90798239
Molecular FormulaC10H16F4O2
Molecular Weight244.23 g/mol
Exact Mass244.11
IUPAC Name4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane
SMILESCC(C)(C)CCC1(F)OC(F)(F)OC1(C)F
InChIInChI=1S/C10H16F4O2/c1-7(2,3)5-6-9(12)8(4,11)15-10(13,14)16-9/h5-6H2,1-4H3
InChIKeyVMVKNYINZJKNNC-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane?
The IUPAC name of 4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane (CID 90798239) is 4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane?
The canonical SMILES for 4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane is CC(C)(C)CCC1(F)OC(F)(F)OC1(C)F.
What is the InChIKey of 4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane?
The InChIKey is VMVKNYINZJKNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4O2/c1-7(2,3)5-6-9(12)8(4,11)15-10(13,14)16-9/h5-6H2,1-4H3.
What are the key properties of 4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane?
4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane has a molecular weight of 244.23 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-2,2,4,5-tetrafluoro-5-methyl-1,3-dioxolane is sourced from PubChem (CID 90798239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).