Sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid

C10H18F3NNaO3- — CID 158091035

IUPACsodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid
SMILES[H-].C[C-](C)C.C1C(CN1C(=O)O)OCC(F)(F)F.[Na+]
InChIInChI=1S/C6H8F3NO3.C4H9.Na.H/c7-6(8,9)3-13-4-1-10(2-4)5(11)12;1-4(2)3;;/h4H,1-3H2,(H,11,12);1-3H3;;/q;-1;+1;-1
InChIKeyCFBZQAXKBVTRSA-UHFFFAOYSA-N
MW280.24 g/mol
LogP—
Rot. Bonds2

About Sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid

Sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid (PubChem CID 158091035) has the molecular formula C10H18F3NNaO3- and a molecular weight of 280.24 g/mol. Its IUPAC name is sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid.

Molecular Properties

Compound NameSodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid
PubChem CID158091035
Molecular FormulaC10H18F3NNaO3-
Molecular Weight280.24 g/mol
Exact Mass280.11
IUPAC Namesodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid
SMILES[H-].C[C-](C)C.C1C(CN1C(=O)O)OCC(F)(F)F.[Na+]
InChIInChI=1S/C6H8F3NO3.C4H9.Na.H/c7-6(8,9)3-13-4-1-10(2-4)5(11)12;1-4(2)3;;/h4H,1-3H2,(H,11,12);1-3H3;;/q;-1;+1;-1
InChIKeyCFBZQAXKBVTRSA-UHFFFAOYSA-N
XLogP—
TPSA49.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity208

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
CID 71258444
tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate
CID 86679272
3-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid
CID 87462257
3-(2,2,2-Trifluoroethoxy)azetidine-1-carboxylic acid
CID 89407431
Tert-butyl 3-(difluoromethoxy)azetidine-1-carboxylate
CID 90288988
Tert-butyl 3-(2,2-difluoroethoxy)azetidine-1-carboxylate
CID 90289272
3-(2,2-Difluoroethoxy)azetidine-1-carboxylic acid
CID 118510254
Propan-2-yl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
CID 123161717
Tert-butyl 3-ethoxy-3-(trifluoromethyl)azetidine-1-carboxylate
CID 132088050
Tert-butyl 3-(1-fluoroethoxy)azetidine-1-carboxylate
CID 134168088
3-(2-Fluoroethoxy)azetidine-1-carboxylic acid
CID 142766696
Tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate
CID 146273096

Frequently Asked Questions

What is the IUPAC name of Sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid?
The IUPAC name of Sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid (CID 158091035) is sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid.
What is the SMILES notation for Sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid?
The canonical SMILES for Sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid is [H-].C[C-](C)C.C1C(CN1C(=O)O)OCC(F)(F)F.[Na+].
What is the InChIKey of Sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid?
The InChIKey is CFBZQAXKBVTRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3.C4H9.Na.H/c7-6(8,9)3-13-4-1-10(2-4)5(11)12;1-4(2)3;;/h4H,1-3H2,(H,11,12);1-3H3;;/q;-1;+1;-1.
What are the key properties of Sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid?
Sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid has a molecular weight of 280.24 g/mol, XLogP of not available, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid is sourced from PubChem (CID 158091035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).