1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine

C9H16F3NO — CID 145394987

IUPAC1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
SMILESCCN1CC(OC(C)C)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-4-13-5-8(6-13,9(10,11)12)14-7(2)3/h7H,4-6H2,1-3H3
InChIKeyGKETYWXQUNCNGQ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.05
Rot. Bonds3

About 1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine

1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine (PubChem CID 145394987) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
PubChem CID145394987
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
SMILESCCN1CC(OC(C)C)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-4-13-5-8(6-13,9(10,11)12)14-7(2)3/h7H,4-6H2,1-3H3
InChIKeyGKETYWXQUNCNGQ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine?
The IUPAC name of 1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine (CID 145394987) is 1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine?
The canonical SMILES for 1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine is CCN1CC(OC(C)C)(C(F)(F)F)C1.
What is the InChIKey of 1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine?
The InChIKey is GKETYWXQUNCNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-4-13-5-8(6-13,9(10,11)12)14-7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine?
1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine has a molecular weight of 211.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 145394987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).