3-(difluoromethoxy)-3-methylazetidine

C5H9F2NO — CID 114782806

IUPAC3-(difluoromethoxy)-3-methylazetidine
SMILESCC1(OC(F)F)CNC1
InChIInChI=1S/C5H9F2NO/c1-5(2-8-3-5)9-4(6)7/h4,8H,2-3H2,1H3
InChIKeyGGCUHTLRZLTIEK-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.59
Rot. Bonds2

About 3-(difluoromethoxy)-3-methylazetidine

3-(difluoromethoxy)-3-methylazetidine (PubChem CID 114782806) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 3-(difluoromethoxy)-3-methylazetidine.

Molecular Properties

Compound Name3-(difluoromethoxy)-3-methylazetidine
PubChem CID114782806
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name3-(difluoromethoxy)-3-methylazetidine
SMILESCC1(OC(F)F)CNC1
InChIInChI=1S/C5H9F2NO/c1-5(2-8-3-5)9-4(6)7/h4,8H,2-3H2,1H3
InChIKeyGGCUHTLRZLTIEK-UHFFFAOYSA-N
XLogP0.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-3-methylazetidine?
The IUPAC name of 3-(difluoromethoxy)-3-methylazetidine (CID 114782806) is 3-(difluoromethoxy)-3-methylazetidine.
What is the SMILES notation for 3-(difluoromethoxy)-3-methylazetidine?
The canonical SMILES for 3-(difluoromethoxy)-3-methylazetidine is CC1(OC(F)F)CNC1.
What is the InChIKey of 3-(difluoromethoxy)-3-methylazetidine?
The InChIKey is GGCUHTLRZLTIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-5(2-8-3-5)9-4(6)7/h4,8H,2-3H2,1H3.
What are the key properties of 3-(difluoromethoxy)-3-methylazetidine?
3-(difluoromethoxy)-3-methylazetidine has a molecular weight of 137.13 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-3-methylazetidine is sourced from PubChem (CID 114782806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).