trifluoromethoxymethyl formate

C3H3F3O3 — CID 54284354

IUPACtrifluoromethoxymethyl formate
SMILESO=COCOC(F)(F)F
InChIInChI=1S/C3H3F3O3/c4-3(5,6)9-2-8-1-7/h1H,2H2
InChIKeyOKGFAEASMZYTNJ-UHFFFAOYSA-N
MW144.05 g/mol
LogP0.65
Rot. Bonds3

About trifluoromethoxymethyl formate

trifluoromethoxymethyl formate (PubChem CID 54284354) has the molecular formula C3H3F3O3 and a molecular weight of 144.05 g/mol. Its IUPAC name is trifluoromethoxymethyl formate.

Molecular Properties

Compound Nametrifluoromethoxymethyl formate
PubChem CID54284354
Molecular FormulaC3H3F3O3
Molecular Weight144.05 g/mol
Exact Mass144.00
IUPAC Nametrifluoromethoxymethyl formate
SMILESO=COCOC(F)(F)F
InChIInChI=1S/C3H3F3O3/c4-3(5,6)9-2-8-1-7/h1H,2H2
InChIKeyOKGFAEASMZYTNJ-UHFFFAOYSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.05
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Formic acid difluoromethyl ester
CID 17803411
Trifluoromethyl formate
CID 12723117
Carbonic acid difluoromethylfluoromethyl ester
CID 87314252

Frequently Asked Questions

What is the IUPAC name of trifluoromethoxymethyl formate?
The IUPAC name of trifluoromethoxymethyl formate (CID 54284354) is trifluoromethoxymethyl formate.
What is the SMILES notation for trifluoromethoxymethyl formate?
The canonical SMILES for trifluoromethoxymethyl formate is O=COCOC(F)(F)F.
What is the InChIKey of trifluoromethoxymethyl formate?
The InChIKey is OKGFAEASMZYTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O3/c4-3(5,6)9-2-8-1-7/h1H,2H2.
What are the key properties of trifluoromethoxymethyl formate?
trifluoromethoxymethyl formate has a molecular weight of 144.05 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethoxymethyl formate is sourced from PubChem (CID 54284354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).