2-(difluoromethoxymethyl)azetidine

C5H9F2NO — CID 130225832

IUPAC2-(difluoromethoxymethyl)azetidine
SMILESFC(F)OCC1CCN1
InChIInChI=1S/C5H9F2NO/c6-5(7)9-3-4-1-2-8-4/h4-5,8H,1-3H2
InChIKeyLWXIXOAQJBBOLA-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.59
Rot. Bonds3

About 2-(difluoromethoxymethyl)azetidine

2-(difluoromethoxymethyl)azetidine (PubChem CID 130225832) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)azetidine.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)azetidine
PubChem CID130225832
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name2-(difluoromethoxymethyl)azetidine
SMILESFC(F)OCC1CCN1
InChIInChI=1S/C5H9F2NO/c6-5(7)9-3-4-1-2-8-4/h4-5,8H,1-3H2
InChIKeyLWXIXOAQJBBOLA-UHFFFAOYSA-N
XLogP0.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,2-trifluoroethyl)oxetan-3-amine
CID 63622170
(R)-2-Methoxymethylazetidine Hydrochloride
CID 68287761
2-(Methoxymethyl)azetidine hydrochloride
CID 68287763
(S)-2-(Methoxymethyl)azetidine hydrochloride
CID 145713863
3,3-Difluoro-6-oxa-1-azaspiro(3.3)heptane hydrochloride
CID 165995228
2-(Methoxymethyl)azetidine
CID 58227482
[(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate
CID 69064137
(3,3-Difluoroazetidin-2-yl)methanol hydrochloride
CID 146012792
2,2-difluoro-N-propan-2-yloxetan-3-amine
CID 164821377
(2R)-2-(difluoromethoxymethyl)azetidine
CID 176862244
(2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane
CID 178087871
(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine;hydrochloride
CID 178126695

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)azetidine?
The IUPAC name of 2-(difluoromethoxymethyl)azetidine (CID 130225832) is 2-(difluoromethoxymethyl)azetidine.
What is the SMILES notation for 2-(difluoromethoxymethyl)azetidine?
The canonical SMILES for 2-(difluoromethoxymethyl)azetidine is FC(F)OCC1CCN1.
What is the InChIKey of 2-(difluoromethoxymethyl)azetidine?
The InChIKey is LWXIXOAQJBBOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)9-3-4-1-2-8-4/h4-5,8H,1-3H2.
What are the key properties of 2-(difluoromethoxymethyl)azetidine?
2-(difluoromethoxymethyl)azetidine has a molecular weight of 137.13 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)azetidine is sourced from PubChem (CID 130225832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).