lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate

C5H3F3LiNO3 — CID 174661509

IUPAClithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate
SMILESO=C(OC(F)(F)F)c1ccno1.[H-].[Li+]
InChIInChI=1S/C5H2F3NO3.Li.H/c6-5(7,8)11-4(10)3-1-2-9-12-3;;/h1-2H;;/q;+1;-1
InChIKeyIJSSLWFTCPDTBY-UHFFFAOYSA-N
MW189.02 g/mol
LogP-1.53
Rot. Bonds1

About lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate

lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate (PubChem CID 174661509) has the molecular formula C5H3F3LiNO3 and a molecular weight of 189.02 g/mol. Its IUPAC name is lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namelithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate
PubChem CID174661509
Molecular FormulaC5H3F3LiNO3
Molecular Weight189.02 g/mol
Exact Mass189.02
IUPAC Namelithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate
SMILESO=C(OC(F)(F)F)c1ccno1.[H-].[Li+]
InChIInChI=1S/C5H2F3NO3.Li.H/c6-5(7,8)11-4(10)3-1-2-9-12-3;;/h1-2H;;/q;+1;-1
InChIKeyIJSSLWFTCPDTBY-UHFFFAOYSA-N
XLogP-1.53
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.02
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate?
The IUPAC name of lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate (CID 174661509) is lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate.
What is the SMILES notation for lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate?
The canonical SMILES for lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate is O=C(OC(F)(F)F)c1ccno1.[H-].[Li+].
What is the InChIKey of lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate?
The InChIKey is IJSSLWFTCPDTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NO3.Li.H/c6-5(7,8)11-4(10)3-1-2-9-12-3;;/h1-2H;;/q;+1;-1.
What are the key properties of lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate?
lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate has a molecular weight of 189.02 g/mol, XLogP of -1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;trifluoromethyl 1,2-oxazole-5-carboxylate is sourced from PubChem (CID 174661509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).