2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole

C4F6O2 — CID 23318178

IUPAC2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(F)OC(F)(C(F)(F)F)O1
InChIInChI=1S/C4F6O2/c5-1-2(6)12-4(10,11-1)3(7,8)9
InChIKeyDHCHHGXQYYUCRN-UHFFFAOYSA-N
MW194.03 g/mol
LogP2.28
Rot. Bonds

About 2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole

2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole (PubChem CID 23318178) has the molecular formula C4F6O2 and a molecular weight of 194.03 g/mol. Its IUPAC name is 2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole
PubChem CID23318178
Molecular FormulaC4F6O2
Molecular Weight194.03 g/mol
Exact Mass193.98
IUPAC Name2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(F)OC(F)(C(F)(F)F)O1
InChIInChI=1S/C4F6O2/c5-1-2(6)12-4(10,11-1)3(7,8)9
InChIKeyDHCHHGXQYYUCRN-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.03
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxole, 2,2,4-trifluoro-5-(trifluoromethoxy)-
CID 9837206
1,1'-((Difluoromethylene)bis(oxy))bis(1,2,2-trifluoroethylene)
CID 83770
1-[Difluoro(pentafluoroethoxy)methoxy]-1,2,2-trifluoroethene
CID 15515048
1-[Difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
CID 71405026
CID 87077445
CID 87077445
1,3-Dioxole, 4,5-difluoro-2,2-bis(trifluoromethyl)-
CID 169957
Perfluorodioxole
CID 11744752
Perfluoro-2-Ethyl-2-Methyl-1,3-Dioxole
CID 14716215
2,2,4,5-Tetrafluoro-1,3-dioxole;1,1,2,2-tetrafluoroethene
CID 130234351
1,1,2,2-Tetrafluoroethene;2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxole
CID 158663025
1-[[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
CID 11046707
Perfluoro-2-ethyl-1,3-dioxole
CID 14716214

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole (CID 23318178) is 2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole is FC1=C(F)OC(F)(C(F)(F)F)O1.
What is the InChIKey of 2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole?
The InChIKey is DHCHHGXQYYUCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6O2/c5-1-2(6)12-4(10,11-1)3(7,8)9.
What are the key properties of 2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole?
2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole has a molecular weight of 194.03 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 23318178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).