4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one

C5H3F5O3 — CID 71114989

IUPAC4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(CC(F)(F)F)C(F)(F)O1
InChIInChI=1S/C5H3F5O3/c6-4(7,8)1-2-5(9,10)13-3(11)12-2/h2H,1H2
InChIKeySFGPBDZHUWZGAP-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.07
Rot. Bonds1

About 4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one

4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one (PubChem CID 71114989) has the molecular formula C5H3F5O3 and a molecular weight of 206.07 g/mol. Its IUPAC name is 4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one
PubChem CID71114989
Molecular FormulaC5H3F5O3
Molecular Weight206.07 g/mol
Exact Mass206.00
IUPAC Name4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(CC(F)(F)F)C(F)(F)O1
InChIInChI=1S/C5H3F5O3/c6-4(7,8)1-2-5(9,10)13-3(11)12-2/h2H,1H2
InChIKeySFGPBDZHUWZGAP-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2,3,3,4,4,4-Heptafluorobutoxy)methyl]-1,3-dioxolan-2-one
CID 54456817
4-(Nonafluorobutyl)-1,3-dioxolan-2-one
CID 112758214
3,3,3-Trifluoropropylene carbonate
CID 3547310
4-(2,2,3,3,3-Pentafluoropropyl)-1,3-dioxolane-2-one
CID 14008832
4-(1,1,1,3,3,3-Hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one
CID 14149936
2,2,4-Tris(trifluoromethyl)-1,3-dioxolane
CID 15123682
(4S,5R)-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
CID 15505210
2,4-Difluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 17876705
4,5-Difluoro-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 17876706
4-Fluoro-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 17876707
4-Fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one
CID 17876709
4,4-Difluoro-5-methyl-1,3-dioxolan-2-one
CID 17876711

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one (CID 71114989) is 4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one is O=C1OC(CC(F)(F)F)C(F)(F)O1.
What is the InChIKey of 4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one?
The InChIKey is SFGPBDZHUWZGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5O3/c6-4(7,8)1-2-5(9,10)13-3(11)12-2/h2H,1H2.
What are the key properties of 4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one?
4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one has a molecular weight of 206.07 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 71114989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).