3-(difluoromethoxy)-1-(2-methylpropyl)azetidine

C8H15F2NO — CID 139457541

IUPAC3-(difluoromethoxy)-1-(2-methylpropyl)azetidine
SMILESCC(C)CN1CC(OC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)3-11-4-7(5-11)12-8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyMWUGLONPFIEIAF-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.57
Rot. Bonds4

About 3-(difluoromethoxy)-1-(2-methylpropyl)azetidine

3-(difluoromethoxy)-1-(2-methylpropyl)azetidine (PubChem CID 139457541) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-(2-methylpropyl)azetidine
PubChem CID139457541
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3-(difluoromethoxy)-1-(2-methylpropyl)azetidine
SMILESCC(C)CN1CC(OC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)3-11-4-7(5-11)12-8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyMWUGLONPFIEIAF-UHFFFAOYSA-N
XLogP1.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.57
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-methylpropyl)azetidine?
The IUPAC name of 3-(difluoromethoxy)-1-(2-methylpropyl)azetidine (CID 139457541) is 3-(difluoromethoxy)-1-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-(difluoromethoxy)-1-(2-methylpropyl)azetidine?
The canonical SMILES for 3-(difluoromethoxy)-1-(2-methylpropyl)azetidine is CC(C)CN1CC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)-1-(2-methylpropyl)azetidine?
The InChIKey is MWUGLONPFIEIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)3-11-4-7(5-11)12-8(9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-1-(2-methylpropyl)azetidine?
3-(difluoromethoxy)-1-(2-methylpropyl)azetidine has a molecular weight of 179.21 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-(2-methylpropyl)azetidine is sourced from PubChem (CID 139457541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).