3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine

C9H16F3NO — CID 164726776

IUPAC3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine
SMILESCC1CN(C(C)C)C1COC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(2)13-4-7(3)8(13)5-14-9(10,11)12/h6-8H,4-5H2,1-3H3
InChIKeyKNNUKUQHUPMVQZ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.25
Rot. Bonds3

About 3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine

3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine (PubChem CID 164726776) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine
PubChem CID164726776
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine
SMILESCC1CN(C(C)C)C1COC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(2)13-4-7(3)8(13)5-14-9(10,11)12/h6-8H,4-5H2,1-3H3
InChIKeyKNNUKUQHUPMVQZ-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine?
The IUPAC name of 3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine (CID 164726776) is 3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine?
The canonical SMILES for 3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine is CC1CN(C(C)C)C1COC(F)(F)F.
What is the InChIKey of 3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine?
The InChIKey is KNNUKUQHUPMVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(2)13-4-7(3)8(13)5-14-9(10,11)12/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine?
3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine has a molecular weight of 211.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine is sourced from PubChem (CID 164726776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).