4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole

C6F10O2 — CID 14716217

IUPAC4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6F10O2/c7-2-1(3(8,9)10)17-4(18-2,5(11,12)13)6(14,15)16
InChIKeyKBEWKNCSQFGQFC-UHFFFAOYSA-N
MW294.04 g/mol
LogP3.56
Rot. Bonds

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

4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole (PubChem CID 14716217) has the molecular formula C6F10O2 and a molecular weight of 294.04 g/mol. Its IUPAC name is 4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole
PubChem CID14716217
Molecular FormulaC6F10O2
Molecular Weight294.04 g/mol
Exact Mass293.97
IUPAC Name4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6F10O2/c7-2-1(3(8,9)10)17-4(18-2,5(11,12)13)6(14,15)16
InChIKeyKBEWKNCSQFGQFC-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Perfluorodimethyl dioxole
CID 85607367
2,2,4-Trifluoro-5-(trifluoromethyl)-1,3-dioxole
CID 11790069
2,4-Difluoro-5-(trifluoromethyl)-1,3-dioxole
CID 54397821
4-Fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole
CID 58722755
2,2,4-Trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole
CID 87328983
2-(Difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole
CID 87774711
1,1,2,2-Tetrafluoro-5,6-bis(trifluoromethyl)-4,7-dioxaspiro[2.4]hept-5-ene
CID 88056965
1,1,2,3,3,3-Hexafluoroprop-1-ene;2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole
CID 88192496
4-Fluoro-5-(trifluoromethoxy)-2,2-bis(trifluoromethyl)-1,3-dioxole
CID 132064329
4-Fluoro-5-(trifluoromethyl)-1,3-dioxole
CID 132235744
4,5-Bis(trifluoromethyl)-1,3-dioxol-2-one
CID 139390779
4-Fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one
CID 139390780

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole (CID 14716217) is 4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole is FC1=C(C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole?
The InChIKey is KBEWKNCSQFGQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O2/c7-2-1(3(8,9)10)17-4(18-2,5(11,12)13)6(14,15)16.
What are the key properties of 4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole?
4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole has a molecular weight of 294.04 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 14716217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).