lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide

C6H5F2LiNO3- — CID 167327351

IUPAClithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide
SMILESCC(F)(F)c1nc([C-]=O)co1.[Li+].[OH-]
InChIInChI=1S/C6H4F2NO2.Li.H2O/c1-6(7,8)5-9-4(2-10)3-11-5;;/h3H,1H3;;1H2/q-1;+1;/p-1
InChIKeyAWZDHUHFWLJDJG-UHFFFAOYSA-M
MW184.05 g/mol
LogP-1.93
Rot. Bonds2

About lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide

lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide (PubChem CID 167327351) has the molecular formula C6H5F2LiNO3- and a molecular weight of 184.05 g/mol. Its IUPAC name is lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide.

Molecular Properties

Compound Namelithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide
PubChem CID167327351
Molecular FormulaC6H5F2LiNO3-
Molecular Weight184.05 g/mol
Exact Mass184.04
IUPAC Namelithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide
SMILESCC(F)(F)c1nc([C-]=O)co1.[Li+].[OH-]
InChIInChI=1S/C6H4F2NO2.Li.H2O/c1-6(7,8)5-9-4(2-10)3-11-5;;/h3H,1H3;;1H2/q-1;+1;/p-1
InChIKeyAWZDHUHFWLJDJG-UHFFFAOYSA-M
XLogP-1.93
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.05
LogP ≤ 5-1.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide?
The IUPAC name of lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide (CID 167327351) is lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide.
What is the SMILES notation for lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide?
The canonical SMILES for lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide is CC(F)(F)c1nc([C-]=O)co1.[Li+].[OH-].
What is the InChIKey of lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide?
The InChIKey is AWZDHUHFWLJDJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4F2NO2.Li.H2O/c1-6(7,8)5-9-4(2-10)3-11-5;;/h3H,1H3;;1H2/q-1;+1;/p-1.
What are the key properties of lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide?
lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide has a molecular weight of 184.05 g/mol, XLogP of -1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanone;hydroxide is sourced from PubChem (CID 167327351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).