bis(fluoromethyl) carbonate

C3H4F2O3 — CID 58325586

IUPACbis(fluoromethyl) carbonate
SMILESO=C(OCF)OCF
InChIInChI=1S/C3H4F2O3/c4-1-7-3(6)8-2-5/h1-2H2
InChIKeyIQFAIEKYIVKGST-UHFFFAOYSA-N
MW126.06 g/mol
LogP0.99
Rot. Bonds2

About bis(fluoromethyl) carbonate

bis(fluoromethyl) carbonate (PubChem CID 58325586) has the molecular formula C3H4F2O3 and a molecular weight of 126.06 g/mol. Its IUPAC name is bis(fluoromethyl) carbonate.

Molecular Properties

Compound Namebis(fluoromethyl) carbonate
PubChem CID58325586
Molecular FormulaC3H4F2O3
Molecular Weight126.06 g/mol
Exact Mass126.01
IUPAC Namebis(fluoromethyl) carbonate
SMILESO=C(OCF)OCF
InChIInChI=1S/C3H4F2O3/c4-1-7-3(6)8-2-5/h1-2H2
InChIKeyIQFAIEKYIVKGST-UHFFFAOYSA-N
XLogP0.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.06
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Carbonic acid, fluoromethyl methyl ester
CID 11622329
Difluoromethyl methyl carbonate
CID 58421229
Carbonic acid difluoromethylfluoromethyl ester
CID 87314252

Frequently Asked Questions

What is the IUPAC name of bis(fluoromethyl) carbonate?
The IUPAC name of bis(fluoromethyl) carbonate (CID 58325586) is bis(fluoromethyl) carbonate.
What is the SMILES notation for bis(fluoromethyl) carbonate?
The canonical SMILES for bis(fluoromethyl) carbonate is O=C(OCF)OCF.
What is the InChIKey of bis(fluoromethyl) carbonate?
The InChIKey is IQFAIEKYIVKGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O3/c4-1-7-3(6)8-2-5/h1-2H2.
What are the key properties of bis(fluoromethyl) carbonate?
bis(fluoromethyl) carbonate has a molecular weight of 126.06 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(fluoromethyl) carbonate is sourced from PubChem (CID 58325586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).