1-tert-butyl-3-(difluoromethoxy)azetidine

C8H15F2NO — CID 153296309

IUPAC1-tert-butyl-3-(difluoromethoxy)azetidine
SMILESCC(C)(C)N1CC(OC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-8(2,3)11-4-6(5-11)12-7(9)10/h6-7H,4-5H2,1-3H3
InChIKeyRREJEJWEDUPDPR-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.71
Rot. Bonds2

About 1-tert-butyl-3-(difluoromethoxy)azetidine

1-tert-butyl-3-(difluoromethoxy)azetidine (PubChem CID 153296309) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-tert-butyl-3-(difluoromethoxy)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(difluoromethoxy)azetidine
PubChem CID153296309
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-tert-butyl-3-(difluoromethoxy)azetidine
SMILESCC(C)(C)N1CC(OC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-8(2,3)11-4-6(5-11)12-7(9)10/h6-7H,4-5H2,1-3H3
InChIKeyRREJEJWEDUPDPR-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-2-methyl-N-(3,3,3-trifluoropropyl)propan-2-amine
CID 59028617
1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
3-(Difluoromethoxy)-1-methylazetidine
CID 117744070
3,3-Difluoro-1-(2-methoxyethyl)azetidine
CID 122269382
3-(1,1-Difluoroethoxy)-1-propan-2-ylazetidine
CID 122532893
1-Methyl-3-(trifluoromethoxy)azetidine
CID 122534000
1-[1-(1-Tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine
CID 126547341
3,3-Difluoro-1-(2-propan-2-yloxyethyl)azetidine
CID 131973521
1-Methyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 132101275
1-Ethyl-3-(trifluoromethoxy)azetidine
CID 137409379
1-Propan-2-yl-3-(trifluoromethoxy)azetidine
CID 137409406
3-(Difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine
CID 137419194

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(difluoromethoxy)azetidine?
The IUPAC name of 1-tert-butyl-3-(difluoromethoxy)azetidine (CID 153296309) is 1-tert-butyl-3-(difluoromethoxy)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(difluoromethoxy)azetidine?
The canonical SMILES for 1-tert-butyl-3-(difluoromethoxy)azetidine is CC(C)(C)N1CC(OC(F)F)C1.
What is the InChIKey of 1-tert-butyl-3-(difluoromethoxy)azetidine?
The InChIKey is RREJEJWEDUPDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-8(2,3)11-4-6(5-11)12-7(9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(difluoromethoxy)azetidine?
1-tert-butyl-3-(difluoromethoxy)azetidine has a molecular weight of 179.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(difluoromethoxy)azetidine is sourced from PubChem (CID 153296309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).