trifluoromethoxymethanone

C2F3O2- — CID 140801476

IUPACtrifluoromethoxymethanone
SMILESO=[C-]OC(F)(F)F
InChIInChI=1S/C2F3O2/c3-2(4,5)7-1-6/q-1
InChIKeyYGLNDSHSVJZSOQ-UHFFFAOYSA-N
MW113.01 g/mol
LogP0.59
Rot. Bonds1

About trifluoromethoxymethanone

trifluoromethoxymethanone (PubChem CID 140801476) has the molecular formula C2F3O2- and a molecular weight of 113.01 g/mol. Its IUPAC name is trifluoromethoxymethanone.

Molecular Properties

Compound Nametrifluoromethoxymethanone
PubChem CID140801476
Molecular FormulaC2F3O2-
Molecular Weight113.01 g/mol
Exact Mass112.99
IUPAC Nametrifluoromethoxymethanone
SMILESO=[C-]OC(F)(F)F
InChIInChI=1S/C2F3O2/c3-2(4,5)7-1-6/q-1
InChIKeyYGLNDSHSVJZSOQ-UHFFFAOYSA-N
XLogP0.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.01
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoromethoxymethanone?
The IUPAC name of trifluoromethoxymethanone (CID 140801476) is trifluoromethoxymethanone.
What is the SMILES notation for trifluoromethoxymethanone?
The canonical SMILES for trifluoromethoxymethanone is O=[C-]OC(F)(F)F.
What is the InChIKey of trifluoromethoxymethanone?
The InChIKey is YGLNDSHSVJZSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F3O2/c3-2(4,5)7-1-6/q-1.
What are the key properties of trifluoromethoxymethanone?
trifluoromethoxymethanone has a molecular weight of 113.01 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethoxymethanone is sourced from PubChem (CID 140801476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).