1,3-oxazolidine;trifluoromethanesulfonic acid

Name: 1,3-oxazolidine;trifluoromethanesulfonic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₄H₈F₃NO₄S — CID 174792299

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1,3-oxazolidine;trifluoromethanesulfonic acid

SMILESC1COCN1.O=S(=O)(O)C(F)(F)F

InChIInChI=1S/C3H7NO.CHF3O3S/c1-2-5-3-4-1;2-1(3,4)8(5,6)7/h4H,1-3H2;(H,5,6,7)

InChIKeyFURPESNQFUKENW-UHFFFAOYSA-N

MW223.17 g/mol

LogP-0.04

Rot. Bonds

About 1,3-oxazolidine;trifluoromethanesulfonic acid

1,3-oxazolidine;trifluoromethanesulfonic acid (PubChem CID 174792299) has the molecular formula C₄H₈F₃NO₄S and a molecular weight of 223.17 g/mol. Its IUPAC name is 1,3-oxazolidine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name	1,3-oxazolidine;trifluoromethanesulfonic acid
PubChem CID	174792299
Molecular Formula	C₄H₈F₃NO₄S
Molecular Weight	223.17 g/mol
Exact Mass	223.01
IUPAC Name	1,3-oxazolidine;trifluoromethanesulfonic acid
SMILES	C1COCN1.O=S(=O)(O)C(F)(F)F
InChI	InChI=1S/C3H7NO.CHF3O3S/c1-2-5-3-4-1;2-1(3,4)8(5,6)7/h4H,1-3H2;(H,5,6,7)
InChIKey	FURPESNQFUKENW-UHFFFAOYSA-N
XLogP	-0.04
TPSA	75.63 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.17
LogP ≤ 5	-0.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine;trifluoromethanesulfonic acid?

The IUPAC name of 1,3-oxazolidine;trifluoromethanesulfonic acid (CID 174792299) is 1,3-oxazolidine;trifluoromethanesulfonic acid.

What is the SMILES notation for 1,3-oxazolidine;trifluoromethanesulfonic acid?

The canonical SMILES for 1,3-oxazolidine;trifluoromethanesulfonic acid is C1COCN1.O=S(=O)(O)C(F)(F)F.

What is the InChIKey of 1,3-oxazolidine;trifluoromethanesulfonic acid?

The InChIKey is FURPESNQFUKENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.CHF3O3S/c1-2-5-3-4-1;2-1(3,4)8(5,6)7/h4H,1-3H2;(H,5,6,7).

What are the key properties of 1,3-oxazolidine;trifluoromethanesulfonic acid?

1,3-oxazolidine;trifluoromethanesulfonic acid has a molecular weight of 223.17 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-oxazolidine;trifluoromethanesulfonic acid is sourced from PubChem (CID 174792299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 174792299 — identifiers, structure, computed properties (public domain)

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