(4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

C11H9F4NO2 — CID 126691968

IUPAC(4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)OC1c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H9F4NO2/c1-5-9(18-10(17)16-5)6-2-7(11(13,14)15)4-8(12)3-6/h2-5,9H,1H3,(H,16,17)/t5-,9?/m0/s1
InChIKeyAPUCCMNBQPSQBV-GXRJOMEUSA-N
MW263.19 g/mol
LogP3.01
Rot. Bonds1

About (4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

(4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 126691968) has the molecular formula C11H9F4NO2 and a molecular weight of 263.19 g/mol. Its IUPAC name is (4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID126691968
Molecular FormulaC11H9F4NO2
Molecular Weight263.19 g/mol
Exact Mass263.06
IUPAC Name(4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)OC1c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H9F4NO2/c1-5-9(18-10(17)16-5)6-2-7(11(13,14)15)4-8(12)3-6/h2-5,9H,1H3,(H,16,17)/t5-,9?/m0/s1
InChIKeyAPUCCMNBQPSQBV-GXRJOMEUSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118602022
4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 77401770
(5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 69224006
(5R)-5-(3,5-dichlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 70899650
(4R)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188276
3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyrrolidine
CID 115351224
(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 129249018
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726
6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine
CID 115351325
(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171196840
(1R,7aS)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
CID 144785628
(4R)-4-[3,5-bis(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187555

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CID 126691968) is (4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1NC(=O)OC1c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of (4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is APUCCMNBQPSQBV-GXRJOMEUSA-N. The full InChI is InChI=1S/C11H9F4NO2/c1-5-9(18-10(17)16-5)6-2-7(11(13,14)15)4-8(12)3-6/h2-5,9H,1H3,(H,16,17)/t5-,9?/m0/s1.
What are the key properties of (4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 263.19 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 126691968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).