difluoromethyl trifluoromethyl carbonate

C3HF5O3 — CID 87314296

IUPACdifluoromethyl trifluoromethyl carbonate
SMILESO=C(OC(F)F)OC(F)(F)F
InChIInChI=1S/C3HF5O3/c4-1(5)10-2(9)11-3(6,7)8/h1H
InChIKeyVNSNDRMJFHXMJU-UHFFFAOYSA-N
MW180.03 g/mol
LogP1.88
Rot. Bonds1

About difluoromethyl trifluoromethyl carbonate

difluoromethyl trifluoromethyl carbonate (PubChem CID 87314296) has the molecular formula C3HF5O3 and a molecular weight of 180.03 g/mol. Its IUPAC name is difluoromethyl trifluoromethyl carbonate.

Molecular Properties

Compound Namedifluoromethyl trifluoromethyl carbonate
PubChem CID87314296
Molecular FormulaC3HF5O3
Molecular Weight180.03 g/mol
Exact Mass179.98
IUPAC Namedifluoromethyl trifluoromethyl carbonate
SMILESO=C(OC(F)F)OC(F)(F)F
InChIInChI=1S/C3HF5O3/c4-1(5)10-2(9)11-3(6,7)8/h1H
InChIKeyVNSNDRMJFHXMJU-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.03
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bis(difluoromethoxy)difluoromethane
CID 10130251
Carbonic acid bis(trifluoromethyl) ester
CID 21263525
Methyl trifluoromethyl carbonate
CID 18179982
[Difluoro(trifluoromethoxy)methyl] carbonofluoridate
CID 176083862
Difluoro-(fluoromethoxy)-(trifluoromethoxy)methane
CID 20746276
Fluoromethyl trifluoromethyl carbonate
CID 20871002
Bis(difluoromethyl) carbonate
CID 87079886
Carbonic acid difluoromethylfluoromethyl ester
CID 87314252
Carbon dioxide;difluoromethoxy(difluoro)methane
CID 88791514
Difluoromethoxy-difluoro-(fluoromethoxy)methane
CID 154265029
[[Difluoromethoxy(difluoro)methoxy]-difluoromethyl] hypofluorite
CID 174300370
Difluoromethoxy-difluoro-(trifluoromethoxy)methane
CID 12713323

Frequently Asked Questions

What is the IUPAC name of difluoromethyl trifluoromethyl carbonate?
The IUPAC name of difluoromethyl trifluoromethyl carbonate (CID 87314296) is difluoromethyl trifluoromethyl carbonate.
What is the SMILES notation for difluoromethyl trifluoromethyl carbonate?
The canonical SMILES for difluoromethyl trifluoromethyl carbonate is O=C(OC(F)F)OC(F)(F)F.
What is the InChIKey of difluoromethyl trifluoromethyl carbonate?
The InChIKey is VNSNDRMJFHXMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O3/c4-1(5)10-2(9)11-3(6,7)8/h1H.
What are the key properties of difluoromethyl trifluoromethyl carbonate?
difluoromethyl trifluoromethyl carbonate has a molecular weight of 180.03 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl trifluoromethyl carbonate is sourced from PubChem (CID 87314296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).