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

C4HF5O3 — CID 59863818

IUPAC4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(C(F)(F)F)C(F)(F)O1
InChIInChI=1S/C4HF5O3/c5-3(6,7)1-4(8,9)12-2(10)11-1/h1H
InChIKeyPCGCMHWCIAZBCQ-UHFFFAOYSA-N
MW192.04 g/mol
LogP1.68
Rot. Bonds

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

4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 59863818) has the molecular formula C4HF5O3 and a molecular weight of 192.04 g/mol. Its IUPAC name is 4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID59863818
Molecular FormulaC4HF5O3
Molecular Weight192.04 g/mol
Exact Mass191.98
IUPAC Name4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(C(F)(F)F)C(F)(F)O1
InChIInChI=1S/C4HF5O3/c5-3(6,7)1-4(8,9)12-2(10)11-1/h1H
InChIKeyPCGCMHWCIAZBCQ-UHFFFAOYSA-N
XLogP1.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 51.68
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 4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one (CID 59863818) is 4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one is O=C1OC(C(F)(F)F)C(F)(F)O1.
What is the InChIKey of 4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is PCGCMHWCIAZBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5O3/c5-3(6,7)1-4(8,9)12-2(10)11-1/h1H.
What are the key properties of 4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one?
4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 192.04 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 59863818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).