3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid

C8H14F3NO3 — CID 162343888

IUPAC3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid
SMILESCOCC1(C)CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13NO.C2HF3O2/c1-6(5-8-2)3-7-4-6;3-2(4,5)1(6)7/h7H,3-5H2,1-2H3;(H,6,7)
InChIKeyNCAQYIUCWLQSPY-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.88
Rot. Bonds2

About 3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid

3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid (PubChem CID 162343888) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid
PubChem CID162343888
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid
SMILESCOCC1(C)CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13NO.C2HF3O2/c1-6(5-8-2)3-7-4-6;3-2(4,5)1(6)7/h7H,3-5H2,1-2H3;(H,6,7)
InChIKeyNCAQYIUCWLQSPY-UHFFFAOYSA-N
XLogP0.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate
CID 69487812
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2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
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methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
CID 158638631
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid
CID 170912508
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 167720931
7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 91663925
ethyl 2-(2-azaspiro[3.3]heptan-6-yl)acetate;2,2,2-trifluoroacetic acid
CID 166604463
5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155822908
(3R)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 124593028
pyrrolidine;2,2,2-trifluoroacetic acid
CID 56840277

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid (CID 162343888) is 3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid is COCC1(C)CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid?
The InChIKey is NCAQYIUCWLQSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2HF3O2/c1-6(5-8-2)3-7-4-6;3-2(4,5)1(6)7/h7H,3-5H2,1-2H3;(H,6,7).
What are the key properties of 3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid?
3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid has a molecular weight of 229.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-3-methylazetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162343888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).