trifluoromethyl carbonofluoridate

C2F4O2 — CID 541789

IUPACtrifluoromethyl carbonofluoridate
SMILESO=C(F)OC(F)(F)F
InChIInChI=1S/C2F4O2/c3-1(7)8-2(4,5)6
InChIKeyRFFZHBZHSOHLAE-UHFFFAOYSA-N
MW132.01 g/mol
LogP1.61
Rot. Bonds

About trifluoromethyl carbonofluoridate

trifluoromethyl carbonofluoridate (PubChem CID 541789) has the molecular formula C2F4O2 and a molecular weight of 132.01 g/mol. Its IUPAC name is trifluoromethyl carbonofluoridate.

Molecular Properties

Compound Nametrifluoromethyl carbonofluoridate
PubChem CID541789
Molecular FormulaC2F4O2
Molecular Weight132.01 g/mol
Exact Mass131.98
IUPAC Nametrifluoromethyl carbonofluoridate
SMILESO=C(F)OC(F)(F)F
InChIInChI=1S/C2F4O2/c3-1(7)8-2(4,5)6
InChIKeyRFFZHBZHSOHLAE-UHFFFAOYSA-N
XLogP1.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.01
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl carbonofluoridate?
The IUPAC name of trifluoromethyl carbonofluoridate (CID 541789) is trifluoromethyl carbonofluoridate.
What is the SMILES notation for trifluoromethyl carbonofluoridate?
The canonical SMILES for trifluoromethyl carbonofluoridate is O=C(F)OC(F)(F)F.
What is the InChIKey of trifluoromethyl carbonofluoridate?
The InChIKey is RFFZHBZHSOHLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F4O2/c3-1(7)8-2(4,5)6.
What are the key properties of trifluoromethyl carbonofluoridate?
trifluoromethyl carbonofluoridate has a molecular weight of 132.01 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl carbonofluoridate is sourced from PubChem (CID 541789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).