1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine

C9H15F3N2O — CID 156546480

IUPAC1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine
SMILESCN1CC(N2CC(OCC(F)(F)F)C2)C1
InChIInChI=1S/C9H15F3N2O/c1-13-2-7(3-13)14-4-8(5-14)15-6-9(10,11)12/h7-8H,2-6H2,1H3
InChIKeyMKFPUFKDZHLXAT-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.56
Rot. Bonds3

About 1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine

1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine (PubChem CID 156546480) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine.

Molecular Properties

Compound Name1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine
PubChem CID156546480
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine
SMILESCN1CC(N2CC(OCC(F)(F)F)C2)C1
InChIInChI=1S/C9H15F3N2O/c1-13-2-7(3-13)14-4-8(5-14)15-6-9(10,11)12/h7-8H,2-6H2,1H3
InChIKeyMKFPUFKDZHLXAT-UHFFFAOYSA-N
XLogP0.56
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 156546513
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CID 167292326
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CID 169637956
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CID 178674504
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CID 59155033
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CID 134452695
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CID 146233379
CID 146233379
CID 166567402
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CID 167292249
CID 167292249

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine?
The IUPAC name of 1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine (CID 156546480) is 1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine.
What is the SMILES notation for 1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine?
The canonical SMILES for 1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine is CN1CC(N2CC(OCC(F)(F)F)C2)C1.
What is the InChIKey of 1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine?
The InChIKey is MKFPUFKDZHLXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-13-2-7(3-13)14-4-8(5-14)15-6-9(10,11)12/h7-8H,2-6H2,1H3.
What are the key properties of 1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine?
1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine has a molecular weight of 224.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine is sourced from PubChem (CID 156546480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).