3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine

C13H23F2NO — CID 170257592

IUPAC3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
SMILESCC(C)(C)OC1CCC(N2CC(F)(F)C2)CC1
InChIInChI=1S/C13H23F2NO/c1-12(2,3)17-11-6-4-10(5-7-11)16-8-13(14,15)9-16/h10-11H,4-9H2,1-3H3
InChIKeyLBHTVYLEPLBQAJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.06
Rot. Bonds2

About 3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine

3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine (PubChem CID 170257592) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
PubChem CID170257592
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
SMILESCC(C)(C)OC1CCC(N2CC(F)(F)C2)CC1
InChIInChI=1S/C13H23F2NO/c1-12(2,3)17-11-6-4-10(5-7-11)16-8-13(14,15)9-16/h10-11H,4-9H2,1-3H3
InChIKeyLBHTVYLEPLBQAJ-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine
CID 122502417
1-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166567369
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174732113
1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166559632
(3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine
CID 170255743
3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine
CID 122608330
4-(3,3-difluoroazetidin-1-yl)cyclohexan-1-one
CID 89330353
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol
CID 70433209
2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 153320528
1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786
tert-butyl N-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]carbamate
CID 172628112
5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol
CID 136533552

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine?
The IUPAC name of 3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine (CID 170257592) is 3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine.
What is the SMILES notation for 3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine?
The canonical SMILES for 3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine is CC(C)(C)OC1CCC(N2CC(F)(F)C2)CC1.
What is the InChIKey of 3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine?
The InChIKey is LBHTVYLEPLBQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-12(2,3)17-11-6-4-10(5-7-11)16-8-13(14,15)9-16/h10-11H,4-9H2,1-3H3.
What are the key properties of 3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine?
3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine has a molecular weight of 247.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine is sourced from PubChem (CID 170257592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).