(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C10H8F3NO2 — CID 97000628

IUPAC(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1NC[C@H](c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8-5-14-9(15)16-8/h1-4,8H,5H2,(H,14,15)/t8-/m1/s1
InChIKeyBXFZWQBMGJINIQ-MRVPVSSYSA-N
MW231.17 g/mol
LogP2.49
Rot. Bonds1

About (5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 97000628) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is (5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID97000628
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1NC[C@H](c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8-5-14-9(15)16-8/h1-4,8H,5H2,(H,14,15)/t8-/m1/s1
InChIKeyBXFZWQBMGJINIQ-MRVPVSSYSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 97000628) is (5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1NC[C@H](c2cccc(C(F)(F)F)c2)O1.
What is the InChIKey of (5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is BXFZWQBMGJINIQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8-5-14-9(15)16-8/h1-4,8H,5H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 231.17 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97000628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).