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

C10H7F4NO2 — CID 171184655

IUPAC(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(F)c2C(F)(F)F)CO1
InChIInChI=1S/C10H7F4NO2/c11-6-3-1-2-5(8(6)10(12,13)14)7-4-17-9(16)15-7/h1-3,7H,4H2,(H,15,16)/t7-/m0/s1
InChIKeyGWFZSKPOFCCRJI-ZETCQYMHSA-N
MW249.16 g/mol
LogP2.63
Rot. Bonds1

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

(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 171184655) has the molecular formula C10H7F4NO2 and a molecular weight of 249.16 g/mol. Its IUPAC name is (4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID171184655
Molecular FormulaC10H7F4NO2
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC Name(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(F)c2C(F)(F)F)CO1
InChIInChI=1S/C10H7F4NO2/c11-6-3-1-2-5(8(6)10(12,13)14)7-4-17-9(16)15-7/h1-3,7H,4H2,(H,15,16)/t7-/m0/s1
InChIKeyGWFZSKPOFCCRJI-ZETCQYMHSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(2-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 131085137
(4R)-5,5-difluoro-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171188534
(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
CID 130692620
(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 130067450
(4S)-4-(3-chloro-2-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184031
(4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one
CID 171184072
(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one
CID 171184161
(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184835
4-(2-iodophenyl)-1,3-oxazolidin-2-one
CID 130156491
(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184393
(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184055
(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 171184655) is (4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1N[C@H](c2cccc(F)c2C(F)(F)F)CO1.
What is the InChIKey of (4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is GWFZSKPOFCCRJI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H7F4NO2/c11-6-3-1-2-5(8(6)10(12,13)14)7-4-17-9(16)15-7/h1-3,7H,4H2,(H,15,16)/t7-/m0/s1.
What are the key properties of (4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 249.16 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171184655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).