trifluoromethyl 1,3-oxazolidine-2-carboxylate

C5H6F3NO3 — CID 177001667

IUPACtrifluoromethyl 1,3-oxazolidine-2-carboxylate
SMILESO=C(OC(F)(F)F)C1NCCO1
InChIInChI=1S/C5H6F3NO3/c6-5(7,8)12-4(10)3-9-1-2-11-3/h3,9H,1-2H2
InChIKeyJZXCRLJVWIBSIV-UHFFFAOYSA-N
MW185.10 g/mol
LogP-0.00
Rot. Bonds1

About trifluoromethyl 1,3-oxazolidine-2-carboxylate

trifluoromethyl 1,3-oxazolidine-2-carboxylate (PubChem CID 177001667) has the molecular formula C5H6F3NO3 and a molecular weight of 185.10 g/mol. Its IUPAC name is trifluoromethyl 1,3-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl 1,3-oxazolidine-2-carboxylate
PubChem CID177001667
Molecular FormulaC5H6F3NO3
Molecular Weight185.10 g/mol
Exact Mass185.03
IUPAC Nametrifluoromethyl 1,3-oxazolidine-2-carboxylate
SMILESO=C(OC(F)(F)F)C1NCCO1
InChIInChI=1S/C5H6F3NO3/c6-5(7,8)12-4(10)3-9-1-2-11-3/h3,9H,1-2H2
InChIKeyJZXCRLJVWIBSIV-UHFFFAOYSA-N
XLogP-0.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxazolidine-2-carboxylic acid
CID 13419880
Oxaproline
CID 54004467
2-(Trifluoromethyl)-1,3-oxazolidin-5-one
CID 21656125
2-(Fluoromethyl)-1,3-oxazolidin-5-one
CID 141058259
Ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
CID 155198953
2-(Trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid
CID 162536129
Methyl 1,3-oxazolidine-2-carboxylate
CID 53999762
(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912
Formyl 1,3-oxazolidine-2-carboxylate
CID 88015026
Ethyl oxazolidine-2-carboxylate
CID 118988997
Lithium 1,3-oxazolidine-2-carboxylate
CID 140974601
Potassium 1,3-oxazolidine-2-carboxylate
CID 160232048

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 1,3-oxazolidine-2-carboxylate?
The IUPAC name of trifluoromethyl 1,3-oxazolidine-2-carboxylate (CID 177001667) is trifluoromethyl 1,3-oxazolidine-2-carboxylate.
What is the SMILES notation for trifluoromethyl 1,3-oxazolidine-2-carboxylate?
The canonical SMILES for trifluoromethyl 1,3-oxazolidine-2-carboxylate is O=C(OC(F)(F)F)C1NCCO1.
What is the InChIKey of trifluoromethyl 1,3-oxazolidine-2-carboxylate?
The InChIKey is JZXCRLJVWIBSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO3/c6-5(7,8)12-4(10)3-9-1-2-11-3/h3,9H,1-2H2.
What are the key properties of trifluoromethyl 1,3-oxazolidine-2-carboxylate?
trifluoromethyl 1,3-oxazolidine-2-carboxylate has a molecular weight of 185.10 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 1,3-oxazolidine-2-carboxylate is sourced from PubChem (CID 177001667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).