2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid

C5H6F3NO3 — CID 162536129

IUPAC2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)NCCO1
InChIInChI=1S/C5H6F3NO3/c6-5(7,8)4(3(10)11)9-1-2-12-4/h9H,1-2H2,(H,10,11)
InChIKeyXGHSMJXEOAEBFC-UHFFFAOYSA-N
MW185.10 g/mol
LogP-0.05
Rot. Bonds1

About 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid

2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid (PubChem CID 162536129) has the molecular formula C5H6F3NO3 and a molecular weight of 185.10 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid
PubChem CID162536129
Molecular FormulaC5H6F3NO3
Molecular Weight185.10 g/mol
Exact Mass185.03
IUPAC Name2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)NCCO1
InChIInChI=1S/C5H6F3NO3/c6-5(7,8)4(3(10)11)9-1-2-12-4/h9H,1-2H2,(H,10,11)
InChIKeyXGHSMJXEOAEBFC-UHFFFAOYSA-N
XLogP-0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Trifluoromethyl)-1,3-oxazolidine-5-carboxylic acid
CID 153939833
Ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
CID 155198953
Trifluoromethyl 1,3-oxazolidine-2-carboxylate
CID 177001667
1,3-Oxazolidine-2,2-dicarboxylic acid
CID 141317783

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid (CID 162536129) is 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid is O=C(O)C1(C(F)(F)F)NCCO1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid?
The InChIKey is XGHSMJXEOAEBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO3/c6-5(7,8)4(3(10)11)9-1-2-12-4/h9H,1-2H2,(H,10,11).
What are the key properties of 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid?
2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid has a molecular weight of 185.10 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid is sourced from PubChem (CID 162536129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).