fluoromethyl trifluoromethyl carbonate

C3H2F4O3 — CID 20871002

IUPACfluoromethyl trifluoromethyl carbonate
SMILESO=C(OCF)OC(F)(F)F
InChIInChI=1S/C3H2F4O3/c4-1-9-2(8)10-3(5,6)7/h1H2
InChIKeyAQROFTZSTCCXIW-UHFFFAOYSA-N
MW162.04 g/mol
LogP1.59
Rot. Bonds1

About fluoromethyl trifluoromethyl carbonate

fluoromethyl trifluoromethyl carbonate (PubChem CID 20871002) has the molecular formula C3H2F4O3 and a molecular weight of 162.04 g/mol. Its IUPAC name is fluoromethyl trifluoromethyl carbonate.

Molecular Properties

Compound Namefluoromethyl trifluoromethyl carbonate
PubChem CID20871002
Molecular FormulaC3H2F4O3
Molecular Weight162.04 g/mol
Exact Mass161.99
IUPAC Namefluoromethyl trifluoromethyl carbonate
SMILESO=C(OCF)OC(F)(F)F
InChIInChI=1S/C3H2F4O3/c4-1-9-2(8)10-3(5,6)7/h1H2
InChIKeyAQROFTZSTCCXIW-UHFFFAOYSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.04
LogP ≤ 51.59
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
Bis(difluoromethyl) carbonate
CID 87079886
Carbonic acid difluoromethylfluoromethyl ester
CID 87314252
Difluoromethyl trifluoromethyl carbonate
CID 87314296
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 fluoromethyl trifluoromethyl carbonate?
The IUPAC name of fluoromethyl trifluoromethyl carbonate (CID 20871002) is fluoromethyl trifluoromethyl carbonate.
What is the SMILES notation for fluoromethyl trifluoromethyl carbonate?
The canonical SMILES for fluoromethyl trifluoromethyl carbonate is O=C(OCF)OC(F)(F)F.
What is the InChIKey of fluoromethyl trifluoromethyl carbonate?
The InChIKey is AQROFTZSTCCXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O3/c4-1-9-2(8)10-3(5,6)7/h1H2.
What are the key properties of fluoromethyl trifluoromethyl carbonate?
fluoromethyl trifluoromethyl carbonate has a molecular weight of 162.04 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl trifluoromethyl carbonate is sourced from PubChem (CID 20871002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).