sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide

C6H8F3NNaO2- — CID 153455791

IUPACsodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide
SMILESO=[C-]C1CN(CC(F)(F)F)C1.[Na+].[OH-]
InChIInChI=1S/C6H7F3NO.Na.H2O/c7-6(8,9)4-10-1-5(2-10)3-11;;/h5H,1-2,4H2;;1H2/q-1;+1;/p-1
InChIKeyGGWCFWIEPKXHFY-UHFFFAOYSA-M
MW206.12 g/mol
LogP-2.58
Rot. Bonds2

About sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide

sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide (PubChem CID 153455791) has the molecular formula C6H8F3NNaO2- and a molecular weight of 206.12 g/mol. Its IUPAC name is sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide.

Molecular Properties

Compound Namesodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide
PubChem CID153455791
Molecular FormulaC6H8F3NNaO2-
Molecular Weight206.12 g/mol
Exact Mass206.04
IUPAC Namesodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide
SMILESO=[C-]C1CN(CC(F)(F)F)C1.[Na+].[OH-]
InChIInChI=1S/C6H7F3NO.Na.H2O/c7-6(8,9)4-10-1-5(2-10)3-11;;/h5H,1-2,4H2;;1H2/q-1;+1;/p-1
InChIKeyGGWCFWIEPKXHFY-UHFFFAOYSA-M
XLogP-2.58
TPSA50.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 5-2.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide?
The IUPAC name of sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide (CID 153455791) is sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide.
What is the SMILES notation for sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide?
The canonical SMILES for sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide is O=[C-]C1CN(CC(F)(F)F)C1.[Na+].[OH-].
What is the InChIKey of sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide?
The InChIKey is GGWCFWIEPKXHFY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7F3NO.Na.H2O/c7-6(8,9)4-10-1-5(2-10)3-11;;/h5H,1-2,4H2;;1H2/q-1;+1;/p-1.
What are the key properties of sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide?
sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide has a molecular weight of 206.12 g/mol, XLogP of -2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone;hydroxide is sourced from PubChem (CID 153455791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).