3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine

C9H16F3NO — CID 146303101

IUPAC3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine
SMILESCCOC1(C(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C9H16F3NO/c1-4-14-8(9(10,11)12)5-13(6-8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyCSZCMTFMZXKSPW-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.05
Rot. Bonds3

About 3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine

3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine (PubChem CID 146303101) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine
PubChem CID146303101
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine
SMILESCCOC1(C(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C9H16F3NO/c1-4-14-8(9(10,11)12)5-13(6-8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyCSZCMTFMZXKSPW-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 3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine?
The IUPAC name of 3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine (CID 146303101) is 3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine?
The canonical SMILES for 3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine is CCOC1(C(F)(F)F)CN(C(C)C)C1.
What is the InChIKey of 3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine?
The InChIKey is CSZCMTFMZXKSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-4-14-8(9(10,11)12)5-13(6-8)7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine?
3-ethoxy-1-propan-2-yl-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 3-ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 146303101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).