(4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride

C9H7ClF3NO2 — CID 171183884

IUPAC(4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2cc(F)cc(F)c2F)CO1
InChIInChI=1S/C9H6F3NO2.ClH/c10-4-1-5(8(12)6(11)2-4)7-3-15-9(14)13-7;/h1-2,7H,3H2,(H,13,14);1H/t7-;/m1./s1
InChIKeyGLPUTBXAQSIDEC-OGFXRTJISA-N
MW253.61 g/mol
LogP2.31
Rot. Bonds1

About (4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride

(4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171183884) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is (4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171183884
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Name(4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2cc(F)cc(F)c2F)CO1
InChIInChI=1S/C9H6F3NO2.ClH/c10-4-1-5(8(12)6(11)2-4)7-3-15-9(14)13-7;/h1-2,7H,3H2,(H,13,14);1H/t7-;/m1./s1
InChIKeyGLPUTBXAQSIDEC-OGFXRTJISA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171183884) is (4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1N[C@@H](c2cc(F)cc(F)c2F)CO1.
What is the InChIKey of (4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is GLPUTBXAQSIDEC-OGFXRTJISA-N. The full InChI is InChI=1S/C9H6F3NO2.ClH/c10-4-1-5(8(12)6(11)2-4)7-3-15-9(14)13-7;/h1-2,7H,3H2,(H,13,14);1H/t7-;/m1./s1.
What are the key properties of (4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 253.61 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171183884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).