trifluoromethyl formate

C2HF3O2 — CID 12723117

IUPACtrifluoromethyl formate
SMILESO=COC(F)(F)F
InChIInChI=1S/C2HF3O2/c3-2(4,5)7-1-6/h1H
InChIKeyXZHNVYDCJNNJEQ-UHFFFAOYSA-N
MW114.02 g/mol
LogP0.68
Rot. Bonds1

About trifluoromethyl formate

trifluoromethyl formate (PubChem CID 12723117) has the molecular formula C2HF3O2 and a molecular weight of 114.02 g/mol. Its IUPAC name is trifluoromethyl formate.

Molecular Properties

Compound Nametrifluoromethyl formate
PubChem CID12723117
Molecular FormulaC2HF3O2
Molecular Weight114.02 g/mol
Exact Mass113.99
IUPAC Nametrifluoromethyl formate
SMILESO=COC(F)(F)F
InChIInChI=1S/C2HF3O2/c3-2(4,5)7-1-6/h1H
InChIKeyXZHNVYDCJNNJEQ-UHFFFAOYSA-N
XLogP0.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.02
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl formate?
The IUPAC name of trifluoromethyl formate (CID 12723117) is trifluoromethyl formate.
What is the SMILES notation for trifluoromethyl formate?
The canonical SMILES for trifluoromethyl formate is O=COC(F)(F)F.
What is the InChIKey of trifluoromethyl formate?
The InChIKey is XZHNVYDCJNNJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2/c3-2(4,5)7-1-6/h1H.
What are the key properties of trifluoromethyl formate?
trifluoromethyl formate has a molecular weight of 114.02 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl formate is sourced from PubChem (CID 12723117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).