3-ethoxy-3-(trifluoromethyl)azetidine

C6H10F3NO — CID 121203436

IUPAC3-ethoxy-3-(trifluoromethyl)azetidine
SMILESCCOC1(C(F)(F)F)CNC1
InChIInChI=1S/C6H10F3NO/c1-2-11-5(3-10-4-5)6(7,8)9/h10H,2-4H2,1H3
InChIKeyLHNLWDRMNXEECH-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.93
Rot. Bonds2

About 3-ethoxy-3-(trifluoromethyl)azetidine

3-ethoxy-3-(trifluoromethyl)azetidine (PubChem CID 121203436) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 3-ethoxy-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name3-ethoxy-3-(trifluoromethyl)azetidine
PubChem CID121203436
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name3-ethoxy-3-(trifluoromethyl)azetidine
SMILESCCOC1(C(F)(F)F)CNC1
InChIInChI=1S/C6H10F3NO/c1-2-11-5(3-10-4-5)6(7,8)9/h10H,2-4H2,1H3
InChIKeyLHNLWDRMNXEECH-UHFFFAOYSA-N
XLogP0.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-(trifluoromethyl)azetidine?
The IUPAC name of 3-ethoxy-3-(trifluoromethyl)azetidine (CID 121203436) is 3-ethoxy-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 3-ethoxy-3-(trifluoromethyl)azetidine?
The canonical SMILES for 3-ethoxy-3-(trifluoromethyl)azetidine is CCOC1(C(F)(F)F)CNC1.
What is the InChIKey of 3-ethoxy-3-(trifluoromethyl)azetidine?
The InChIKey is LHNLWDRMNXEECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-2-11-5(3-10-4-5)6(7,8)9/h10H,2-4H2,1H3.
What are the key properties of 3-ethoxy-3-(trifluoromethyl)azetidine?
3-ethoxy-3-(trifluoromethyl)azetidine has a molecular weight of 169.15 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 121203436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).