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

C9H17F2NO — CID 138607648

IUPAC3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
SMILESCC(C)(C)OCCN1CC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-8(2,3)13-5-4-12-6-9(10,11)7-12/h4-7H2,1-3H3
InChIKeyISVKEQZHTSUBAT-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds3

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

3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine (PubChem CID 138607648) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
PubChem CID138607648
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
SMILESCC(C)(C)OCCN1CC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-8(2,3)13-5-4-12-6-9(10,11)7-12/h4-7H2,1-3H3
InChIKeyISVKEQZHTSUBAT-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 90140970
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 117973097
3,3-Difluoro-1-(2-methoxyethyl)azetidine
CID 122269382
3-(1,1-Difluoroethoxy)-1-propan-2-ylazetidine
CID 122532893
1-(2-Ethoxyethyl)-3-(fluoromethyl)azetidine
CID 123621807
3-(Fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 123717229
2,2,2-trifluoro-N-(2-methoxyethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 129145347
3,3-Difluoro-1-(2-propan-2-yloxyethyl)azetidine
CID 131973521
3-Ethoxy-1-methyl-3-(trifluoromethyl)azetidine
CID 132101260
3-Methoxy-1-methyl-3-(trifluoromethyl)azetidine
CID 132101274
1-Methyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 132101275

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine?
The IUPAC name of 3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine (CID 138607648) is 3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine.
What is the SMILES notation for 3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine?
The canonical SMILES for 3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine is CC(C)(C)OCCN1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine?
The InChIKey is ISVKEQZHTSUBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(2,3)13-5-4-12-6-9(10,11)7-12/h4-7H2,1-3H3.
What are the key properties of 3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine?
3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine is sourced from PubChem (CID 138607648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).