4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one

C5HF7O3 — CID 58725743

IUPAC4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(C(F)(F)F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C5HF7O3/c6-3(5(10,11)12)1(4(7,8)9)14-2(13)15-3/h1H
InChIKeyMGSHRKLDGALLAF-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.31
Rot. Bonds

About 4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one

4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 58725743) has the molecular formula C5HF7O3 and a molecular weight of 242.05 g/mol. Its IUPAC name is 4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID58725743
Molecular FormulaC5HF7O3
Molecular Weight242.05 g/mol
Exact Mass241.98
IUPAC Name4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(C(F)(F)F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C5HF7O3/c6-3(5(10,11)12)1(4(7,8)9)14-2(13)15-3/h1H
InChIKeyMGSHRKLDGALLAF-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Nonafluorobutyl)-1,3-dioxolan-2-one
CID 112758214
3,3,3-Trifluoropropylene carbonate
CID 3547310
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 9856261
4-(Fluoromethyl)-1,3-dioxolan-2-one
CID 11708057
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxolan-2-one
CID 14149935
Bis(hexafluoroisopropyl) carbonate
CID 10959380
4,4-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 21732402
(4R,5R)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 73054756
(4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 73054757
2-(Difluoromethylidene)-4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 11333603
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one (CID 58725743) is 4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one is O=C1OC(C(F)(F)F)C(F)(C(F)(F)F)O1.
What is the InChIKey of 4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is MGSHRKLDGALLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF7O3/c6-3(5(10,11)12)1(4(7,8)9)14-2(13)15-3/h1H.
What are the key properties of 4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 242.05 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 58725743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).