tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate

C10H17F2NO3 — CID 122487529

IUPACtert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1COC(F)F
InChIInChI=1S/C10H17F2NO3/c1-10(2,3)16-9(14)13-5-4-7(13)6-15-8(11)12/h7-8H,4-6H2,1-3H3
InChIKeyJFMPAXWHJKWZPR-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.23
Rot. Bonds3

About tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate

tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate (PubChem CID 122487529) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate
PubChem CID122487529
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Nametert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1COC(F)F
InChIInChI=1S/C10H17F2NO3/c1-10(2,3)16-9(14)13-5-4-7(13)6-15-8(11)12/h7-8H,4-6H2,1-3H3
InChIKeyJFMPAXWHJKWZPR-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 3-[2-(trifluoromethoxy)ethyl]azetidine-1-carboxylate
CID 176438190
Tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
CID 71258444
Tert-butyl 3-(difluoromethoxy)azetidine-1-carboxylate
CID 90288988
Tert-butyl 3-(2,2-difluoroethoxy)azetidine-1-carboxylate
CID 90289272
Tert-butyl 3,3-difluoro-2-(hydroxymethyl)azetidine-1-carboxylate
CID 126970510
Tert-butyl 3-ethoxy-3-(trifluoromethyl)azetidine-1-carboxylate
CID 132088050
Tert-butyl 2-(1-fluoroethoxymethyl)azetidine-1-carboxylate
CID 134168097
Tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate
CID 146273096
Tert-butyl 3-(trifluoromethoxy)azetidine-1-carboxylate
CID 163279484
tert-Butyl (R)-3,3-difluoro-2-(hydroxymethyl)azetidine-1-carboxylate
CID 168444312
tert-Butyl (2R,3R)-2-(hydroxymethyl)-3-(trifluoromethyl)azetidine-1-carboxylate
CID 171593054
Tert-butyl 3-fluoro-2-(hydroxymethyl)azetidine-1-carboxylate
CID 172834380

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate (CID 122487529) is tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC1COC(F)F.
What is the InChIKey of tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate?
The InChIKey is JFMPAXWHJKWZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-10(2,3)16-9(14)13-5-4-7(13)6-15-8(11)12/h7-8H,4-6H2,1-3H3.
What are the key properties of tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate?
tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate is sourced from PubChem (CID 122487529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).