2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane

C7H2F12O2 — CID 11152168

IUPAC2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C7H2F12O2/c8-4(9,10)2(5(11,12)13)1-20-3(21-2,6(14,15)16)7(17,18)19/h1H2
InChIKeyVPTLTKGKYBRDFU-UHFFFAOYSA-N
MW346.07 g/mol
LogP3.72
Rot. Bonds

About 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane

2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane (PubChem CID 11152168) has the molecular formula C7H2F12O2 and a molecular weight of 346.07 g/mol. Its IUPAC name is 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane
PubChem CID11152168
Molecular FormulaC7H2F12O2
Molecular Weight346.07 g/mol
Exact Mass345.99
IUPAC Name2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C7H2F12O2/c8-4(9,10)2(5(11,12)13)1-20-3(21-2,6(14,15)16)7(17,18)19/h1H2
InChIKeyVPTLTKGKYBRDFU-UHFFFAOYSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.07
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Bis(trifluoromethyl)-1,3-dioxolane
CID 120560
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 9856261
4,4,5-Trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane
CID 14297350
4,4-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 21732402
2,2-Bis(difluoromethyl)-1,3-dioxolane
CID 21731045
2,2-Bis(difluoromethyl)-4,5-difluoro-1,3-dioxolane
CID 21731048
(4R,5R)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 73054756
(4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 73054757
2-(1,1,2,2,2-Pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 14401465
2,2,4-Tris(trifluoromethyl)-1,3-dioxolane
CID 15123682
4,4,5-Trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 15584747
4,5-Difluoro-4-(trifluoromethyl)-1,3-dioxolane
CID 17876712

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane (CID 11152168) is 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1(C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is VPTLTKGKYBRDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12O2/c8-4(9,10)2(5(11,12)13)1-20-3(21-2,6(14,15)16)7(17,18)19/h1H2.
What are the key properties of 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane?
2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 346.07 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 11152168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).