tert-butyl formate;3-(difluoromethoxy)azetidine

C9H17F2NO3 — CID 174766143

IUPACtert-butyl formate;3-(difluoromethoxy)azetidine
SMILESCC(C)(C)OC=O.FC(F)OC1CNC1
InChIInChI=1S/C5H10O2.C4H7F2NO/c1-5(2,3)7-4-6;5-4(6)8-3-1-7-2-3/h4H,1-3H3;3-4,7H,1-2H2
InChIKeyNVQSXDCEJWJJRY-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.16
Rot. Bonds3

About tert-butyl formate;3-(difluoromethoxy)azetidine

tert-butyl formate;3-(difluoromethoxy)azetidine (PubChem CID 174766143) has the molecular formula C9H17F2NO3 and a molecular weight of 225.23 g/mol. Its IUPAC name is tert-butyl formate;3-(difluoromethoxy)azetidine.

Molecular Properties

Compound Nametert-butyl formate;3-(difluoromethoxy)azetidine
PubChem CID174766143
Molecular FormulaC9H17F2NO3
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC Nametert-butyl formate;3-(difluoromethoxy)azetidine
SMILESCC(C)(C)OC=O.FC(F)OC1CNC1
InChIInChI=1S/C5H10O2.C4H7F2NO/c1-5(2,3)7-4-6;5-4(6)8-3-1-7-2-3/h4H,1-3H3;3-4,7H,1-2H2
InChIKeyNVQSXDCEJWJJRY-UHFFFAOYSA-N
XLogP1.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;3-(difluoromethoxy)azetidine?
The IUPAC name of tert-butyl formate;3-(difluoromethoxy)azetidine (CID 174766143) is tert-butyl formate;3-(difluoromethoxy)azetidine.
What is the SMILES notation for tert-butyl formate;3-(difluoromethoxy)azetidine?
The canonical SMILES for tert-butyl formate;3-(difluoromethoxy)azetidine is CC(C)(C)OC=O.FC(F)OC1CNC1.
What is the InChIKey of tert-butyl formate;3-(difluoromethoxy)azetidine?
The InChIKey is NVQSXDCEJWJJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H7F2NO/c1-5(2,3)7-4-6;5-4(6)8-3-1-7-2-3/h4H,1-3H3;3-4,7H,1-2H2.
What are the key properties of tert-butyl formate;3-(difluoromethoxy)azetidine?
tert-butyl formate;3-(difluoromethoxy)azetidine has a molecular weight of 225.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;3-(difluoromethoxy)azetidine is sourced from PubChem (CID 174766143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).