4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane

C8H5F11O2 — CID 58078354

IUPAC4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)C1(F)COC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H5F11O2/c1-3(9,10)5(12,13)4(11)2-20-6(21-4,7(14,15)16)8(17,18)19/h2H2,1H3
InChIKeyISYGAFWBVHSRPO-UHFFFAOYSA-N
MW342.10 g/mol
LogP3.81
Rot. Bonds2

About 4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane

4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 58078354) has the molecular formula C8H5F11O2 and a molecular weight of 342.10 g/mol. Its IUPAC name is 4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID58078354
Molecular FormulaC8H5F11O2
Molecular Weight342.10 g/mol
Exact Mass342.01
IUPAC Name4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)C1(F)COC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H5F11O2/c1-3(9,10)5(12,13)4(11)2-20-6(21-4,7(14,15)16)8(17,18)19/h2H2,1H3
InChIKeyISYGAFWBVHSRPO-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.10
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-Bis(trifluoromethyl)-1,3-dioxolane
CID 120560
2-(2,2,3,3,4,4,4-Heptafluorobutyl)-1,3-dioxolane
CID 11139725
2,2-Difluoro-4-propyl-1,3-dioxolane
CID 18923918
1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane
CID 15006626
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
2,2-Bis(difluoromethyl)-1,3-dioxolane
CID 21731045
2,2-Bis(difluoromethyl)-4,5-difluoro-1,3-dioxolane
CID 21731048
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 58078354) is 4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane is CC(F)(F)C(F)(F)C1(F)COC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is ISYGAFWBVHSRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O2/c1-3(9,10)5(12,13)4(11)2-20-6(21-4,7(14,15)16)8(17,18)19/h2H2,1H3.
What are the key properties of 4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 342.10 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 58078354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).