(2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine

C7H12F3NO — CID 167030997

IUPAC(2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine
SMILESCOC[C@@H]1CCN1CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-12-4-6-2-3-11(6)5-7(8,9)10/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyNGRZODQAWZCAOQ-LURJTMIESA-N
MW183.17 g/mol
LogP1.27
Rot. Bonds3

About (2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine

(2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine (PubChem CID 167030997) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine
PubChem CID167030997
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine
SMILESCOC[C@@H]1CCN1CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-12-4-6-2-3-11(6)5-7(8,9)10/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyNGRZODQAWZCAOQ-LURJTMIESA-N
XLogP1.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Difluoro-1-(2-methoxyethyl)azetidine
CID 122269382
1-(2-Fluoroethyl)-2-(methoxymethyl)azetidine
CID 130987507
1-(2,2-Difluoroethyl)-2-(methoxymethyl)azetidine
CID 131229680
1-Propan-2-yl-3-(trifluoromethoxy)azetidine
CID 137409406
2-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)azetidine
CID 137419189
3-(Difluoromethoxy)-1-propan-2-ylazetidine
CID 146385462
N-(3,3-difluoropropyl)-N-methyloxetan-3-amine
CID 146481324
2-(1,1-Difluorobutoxymethyl)-1-ethylazetidine
CID 162762242
2-(1,1-Difluoroethoxymethyl)-1-methylazetidine;ethane
CID 162764037
1-Propan-2-yl-2-(trifluoromethoxymethyl)azetidine
CID 164726540
3-Methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine
CID 164726776
1-(2,2-Difluoroethyl)-2-(propan-2-yloxymethyl)azetidine
CID 167031001

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine (CID 167030997) is (2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine is COC[C@@H]1CCN1CC(F)(F)F.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine?
The InChIKey is NGRZODQAWZCAOQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F3NO/c1-12-4-6-2-3-11(6)5-7(8,9)10/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine?
(2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine has a molecular weight of 183.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine is sourced from PubChem (CID 167030997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).