potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate

C6H9F3KNO — CID 170601919

IUPACpotassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate
SMILES[K+].[O-]CC1CCN1CC(F)(F)F
InChIInChI=1S/C6H9F3NO.K/c7-6(8,9)4-10-2-1-5(10)3-11;/h5H,1-4H2;/q-1;+1
InChIKeyKENNPHFZDSVDIU-UHFFFAOYSA-N
MW207.24 g/mol
LogP-3.01
Rot. Bonds2

About potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate

potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate (PubChem CID 170601919) has the molecular formula C6H9F3KNO and a molecular weight of 207.24 g/mol. Its IUPAC name is potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate.

Molecular Properties

Compound Namepotassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate
PubChem CID170601919
Molecular FormulaC6H9F3KNO
Molecular Weight207.24 g/mol
Exact Mass207.03
IUPAC Namepotassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate
SMILES[K+].[O-]CC1CCN1CC(F)(F)F
InChIInChI=1S/C6H9F3NO.K/c7-6(8,9)4-10-2-1-5(10)3-11;/h5H,1-4H2;/q-1;+1
InChIKeyKENNPHFZDSVDIU-UHFFFAOYSA-N
XLogP-3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-3.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate?
The IUPAC name of potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate (CID 170601919) is potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate.
What is the SMILES notation for potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate?
The canonical SMILES for potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate is [K+].[O-]CC1CCN1CC(F)(F)F.
What is the InChIKey of potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate?
The InChIKey is KENNPHFZDSVDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3NO.K/c7-6(8,9)4-10-2-1-5(10)3-11;/h5H,1-4H2;/q-1;+1.
What are the key properties of potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate?
potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate has a molecular weight of 207.24 g/mol, XLogP of -3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanolate is sourced from PubChem (CID 170601919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).