(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid

C10H12F3NO4 — CID 175877299

IUPAC(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid
SMILESCc1cc([C@@H]2CCON2)co1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11NO2.C2HF3O2/c1-6-4-7(5-10-6)8-2-3-11-9-8;3-2(4,5)1(6)7/h4-5,8-9H,2-3H2,1H3;(H,6,7)/t8-;/m0./s1
InChIKeyXOQVMJZKFMLMKS-QRPNPIFTSA-N
MW267.20 g/mol
LogP2.19
Rot. Bonds1

About (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid

(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid (PubChem CID 175877299) has the molecular formula C10H12F3NO4 and a molecular weight of 267.20 g/mol. Its IUPAC name is (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid
PubChem CID175877299
Molecular FormulaC10H12F3NO4
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid
SMILESCc1cc([C@@H]2CCON2)co1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11NO2.C2HF3O2/c1-6-4-7(5-10-6)8-2-3-11-9-8;3-2(4,5)1(6)7/h4-5,8-9H,2-3H2,1H3;(H,6,7)/t8-;/m0./s1
InChIKeyXOQVMJZKFMLMKS-QRPNPIFTSA-N
XLogP2.19
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid (CID 175877299) is (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid is Cc1cc([C@@H]2CCON2)co1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid?
The InChIKey is XOQVMJZKFMLMKS-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H11NO2.C2HF3O2/c1-6-4-7(5-10-6)8-2-3-11-9-8;3-2(4,5)1(6)7/h4-5,8-9H,2-3H2,1H3;(H,6,7)/t8-;/m0./s1.
What are the key properties of (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid?
(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid has a molecular weight of 267.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175877299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).