4-(trifluoromethyl)-1,3-dioxolan-2-one

C4H3F3O3 — CID 3547310

IUPAC4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)(F)F)O1
InChIInChI=1S/C4H3F3O3/c5-4(6,7)2-1-9-3(8)10-2/h2H,1H2
InChIKeyGKZFQPGIDVGTLZ-UHFFFAOYSA-N
MW156.06 g/mol
LogP1.08
Rot. Bonds

About 4-(trifluoromethyl)-1,3-dioxolan-2-one

4-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 3547310) has the molecular formula C4H3F3O3 and a molecular weight of 156.06 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID3547310
Molecular FormulaC4H3F3O3
Molecular Weight156.06 g/mol
Exact Mass156.00
IUPAC Name4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)(F)F)O1
InChIInChI=1S/C4H3F3O3/c5-4(6,7)2-1-9-3(8)10-2/h2H,1H2
InChIKeyGKZFQPGIDVGTLZ-UHFFFAOYSA-N
XLogP1.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dioxolan-2-one, 4,4-difluoro-
CID 9793752
4-(Fluoromethyl)-1,3-dioxolan-2-one
CID 11708057
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxolan-2-one
CID 14149935
2,2-Difluoro-4-methyl-1,3-dioxolane
CID 11040697
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
4,5-Difluoro-4-methyl-1,3-dioxolan-2-one
CID 17876702
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

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(trifluoromethyl)-1,3-dioxolan-2-one (CID 3547310) is 4-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(trifluoromethyl)-1,3-dioxolan-2-one is O=C1OCC(C(F)(F)F)O1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is GKZFQPGIDVGTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O3/c5-4(6,7)2-1-9-3(8)10-2/h2H,1H2.
What are the key properties of 4-(trifluoromethyl)-1,3-dioxolan-2-one?
4-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 156.06 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 3547310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).