(4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C12H12F3NO2 — CID 10355190

IUPAC(4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC[C@@H]1COC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO2/c1-2-9-7-18-11(17)16(9)10-5-3-8(4-6-10)12(13,14)15/h3-6,9H,2,7H2,1H3/t9-/m1/s1
InChIKeyPACURDJRXQMFEF-SECBINFHSA-N
MW259.23 g/mol
LogP3.44
Rot. Bonds2

About (4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 10355190) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is (4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID10355190
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name(4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC[C@@H]1COC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO2/c1-2-9-7-18-11(17)16(9)10-5-3-8(4-6-10)12(13,14)15/h3-6,9H,2,7H2,1H3/t9-/m1/s1
InChIKeyPACURDJRXQMFEF-SECBINFHSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 10355190) is (4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CC[C@@H]1COC(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is PACURDJRXQMFEF-SECBINFHSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-2-9-7-18-11(17)16(9)10-5-3-8(4-6-10)12(13,14)15/h3-6,9H,2,7H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 259.23 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10355190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).