4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one

C5H5F3O3 — CID 151184122

IUPAC4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one
SMILESCC1(C(F)F)OC(=O)OC1F
InChIInChI=1S/C5H5F3O3/c1-5(2(6)7)3(8)10-4(9)11-5/h2-3H,1H3
InChIKeyNEXSRHNKGGYPRX-UHFFFAOYSA-N
MW170.09 g/mol
LogP1.47
Rot. Bonds1

About 4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one

4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one (PubChem CID 151184122) has the molecular formula C5H5F3O3 and a molecular weight of 170.09 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one
PubChem CID151184122
Molecular FormulaC5H5F3O3
Molecular Weight170.09 g/mol
Exact Mass170.02
IUPAC Name4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one
SMILESCC1(C(F)F)OC(=O)OC1F
InChIInChI=1S/C5H5F3O3/c1-5(2(6)7)3(8)10-4(9)11-5/h2-3H,1H3
InChIKeyNEXSRHNKGGYPRX-UHFFFAOYSA-N
XLogP1.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.09
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one
CID 71434733
4-(1-fluoroethyl)-1,3-dioxetan-2-one
CID 175470122
5-fluoro-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10997358
4-ethenyl-4,5-dimethyl-1,3-dioxolan-2-one
CID 66865740
4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 59435091
(4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one
CID 89206790
1,7-dimethyl-2,4,6-trioxabicyclo[5.2.0]non-8-ene-3,5-dione
CID 88785660
5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione
CID 154679095
(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione
CID 139049260
4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one
CID 161112908
(4R,5S)-4-tert-butyl-5-propan-2-yl-1,3-dioxolan-2-one
CID 135210558
(4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188209

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one (CID 151184122) is 4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one is CC1(C(F)F)OC(=O)OC1F.
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one?
The InChIKey is NEXSRHNKGGYPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O3/c1-5(2(6)7)3(8)10-4(9)11-5/h2-3H,1H3.
What are the key properties of 4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one?
4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one has a molecular weight of 170.09 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 151184122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).