3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine

C8H15F2NO — CID 122532893

IUPAC3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(OC(C)(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-4-7(5-11)12-8(3,9)10/h6-7H,4-5H2,1-3H3
InChIKeyWTASXBJALZHTIV-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.71
Rot. Bonds3

About 3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine

3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine (PubChem CID 122532893) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine
PubChem CID122532893
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(OC(C)(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-4-7(5-11)12-8(3,9)10/h6-7H,4-5H2,1-3H3
InChIKeyWTASXBJALZHTIV-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
4-Propan-2-yl-2-(trifluoromethyl)morpholine
CID 68270831
3-(Difluoromethoxy)-1-methylazetidine
CID 117744070
3,3-Difluoro-1-(2-methoxyethyl)azetidine
CID 122269382
1-Methyl-3-(trifluoromethoxy)azetidine
CID 122534000
2-(Difluoromethyl)-4-propan-2-ylmorpholine
CID 126990184
3,3-Difluoro-1-(2-propan-2-yloxyethyl)azetidine
CID 131973521
1-Methyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 132101275
(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine
CID 132218185
(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine
CID 132218187
(2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine
CID 134269818

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine?
The IUPAC name of 3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine (CID 122532893) is 3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine is CC(C)N1CC(OC(C)(F)F)C1.
What is the InChIKey of 3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine?
The InChIKey is WTASXBJALZHTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)11-4-7(5-11)12-8(3,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine?
3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine has a molecular weight of 179.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethoxy)-1-propan-2-ylazetidine is sourced from PubChem (CID 122532893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).