4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane

C9H10F8O2 — CID 20743579

IUPAC4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCCC1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(C)F
InChIInChI=1S/C9H10F8O2/c1-3-4-6(11)5(2,10)18-7(19-6,8(12,13)14)9(15,16)17/h3-4H2,1-2H3
InChIKeyOIDJONAQDBUGOV-UHFFFAOYSA-N
MW302.16 g/mol
LogP4.01
Rot. Bonds2

About 4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane

4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 20743579) has the molecular formula C9H10F8O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID20743579
Molecular FormulaC9H10F8O2
Molecular Weight302.16 g/mol
Exact Mass302.06
IUPAC Name4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCCC1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(C)F
InChIInChI=1S/C9H10F8O2/c1-3-4-6(11)5(2,10)18-7(19-6,8(12,13)14)9(15,16)17/h3-4H2,1-2H3
InChIKeyOIDJONAQDBUGOV-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-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

Related Compounds

3,3-Diethoxyperfluoro-2-methyloxolane
CID 129762031
3,3-Di-isopropoxyperfluoro-2-methyloxolane
CID 129762070
4,5-Dipropyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 549956
1,3-Dioxolane, 4,5-dipropyl-2,2-bis(trifluoromethyl)-, cis-
CID 21731540
1,3-Dioxolane, 4,5-dipropyl-2,2-bis(trifluoromethyl)-, trans-
CID 21731543
2,2-Dimethyl-4-(pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 91740244
4,5-Difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 18683775
2,2,4-Trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane
CID 18710858
2,2,4-Trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane
CID 18710860
6-(2,2-Difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane
CID 20681742
4,5-Bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane
CID 20823502
4-Ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane
CID 21134549

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 20743579) is 4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is CCCC1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(C)F.
What is the InChIKey of 4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is OIDJONAQDBUGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O2/c1-3-4-6(11)5(2,10)18-7(19-6,8(12,13)14)9(15,16)17/h3-4H2,1-2H3.
What are the key properties of 4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 302.16 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 20743579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).