3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine

C9H17F2NO — CID 137419194

IUPAC3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine
SMILESCC(C)(C)CN1CC(OC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-9(2,3)6-12-4-7(5-12)13-8(10)11/h7-8H,4-6H2,1-3H3
InChIKeyROOFPJZYYQENIA-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.96
Rot. Bonds3

About 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine

3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine (PubChem CID 137419194) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine
PubChem CID137419194
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine
SMILESCC(C)(C)CN1CC(OC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-9(2,3)6-12-4-7(5-12)13-8(10)11/h7-8H,4-6H2,1-3H3
InChIKeyROOFPJZYYQENIA-UHFFFAOYSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine?
The IUPAC name of 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine (CID 137419194) is 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine.
What is the SMILES notation for 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine?
The canonical SMILES for 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine is CC(C)(C)CN1CC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine?
The InChIKey is ROOFPJZYYQENIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-9(2,3)6-12-4-7(5-12)13-8(10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine?
3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine has a molecular weight of 193.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine is sourced from PubChem (CID 137419194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).