1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine

C7H13F2NO — CID 131229680

IUPAC1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine
SMILESCOCC1CCN1CC(F)F
InChIInChI=1S/C7H13F2NO/c1-11-5-6-2-3-10(6)4-7(8)9/h6-7H,2-5H2,1H3
InChIKeyNGGLZBRGLWPIBV-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.97
Rot. Bonds4

About 1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine

1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine (PubChem CID 131229680) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine
PubChem CID131229680
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine
SMILESCOCC1CCN1CC(F)F
InChIInChI=1S/C7H13F2NO/c1-11-5-6-2-3-10(6)4-7(8)9/h6-7H,2-5H2,1H3
InChIKeyNGGLZBRGLWPIBV-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.97
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-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
(2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine
CID 167030997
1-(2,2-Difluoroethyl)-2-(propan-2-yloxymethyl)azetidine
CID 167031001

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine?
The IUPAC name of 1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine (CID 131229680) is 1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine is COCC1CCN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine?
The InChIKey is NGGLZBRGLWPIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-11-5-6-2-3-10(6)4-7(8)9/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine?
1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine has a molecular weight of 165.18 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-(methoxymethyl)azetidine is sourced from PubChem (CID 131229680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).