3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine

C8H14F3NO — CID 137449313

IUPAC3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine
SMILESCC(C)OC1CN(CC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-6(2)13-7-3-12(4-7)5-8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyVNLUEFUEBWPABG-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.66
Rot. Bonds3

About 3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine

3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine (PubChem CID 137449313) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine.

Molecular Properties

Compound Name3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine
PubChem CID137449313
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine
SMILESCC(C)OC1CN(CC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-6(2)13-7-3-12(4-7)5-8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyVNLUEFUEBWPABG-UHFFFAOYSA-N
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine?
The IUPAC name of 3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine (CID 137449313) is 3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine.
What is the SMILES notation for 3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine?
The canonical SMILES for 3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine is CC(C)OC1CN(CC(F)(F)F)C1.
What is the InChIKey of 3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine?
The InChIKey is VNLUEFUEBWPABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2)13-7-3-12(4-7)5-8(9,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine?
3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine has a molecular weight of 197.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine is sourced from PubChem (CID 137449313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).