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

C10H7F4NO2 — CID 171184055

IUPAC(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccc(C(F)(F)F)c(F)c2)CO1
InChIInChI=1S/C10H7F4NO2/c11-7-3-5(8-4-17-9(16)15-8)1-2-6(7)10(12,13)14/h1-3,8H,4H2,(H,15,16)/t8-/m1/s1
InChIKeyMTGCHURVUAAQPT-MRVPVSSYSA-N
MW249.16 g/mol
LogP2.63
Rot. Bonds1

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

(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 171184055) has the molecular formula C10H7F4NO2 and a molecular weight of 249.16 g/mol. Its IUPAC name is (4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID171184055
Molecular FormulaC10H7F4NO2
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC Name(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccc(C(F)(F)F)c(F)c2)CO1
InChIInChI=1S/C10H7F4NO2/c11-7-3-5(8-4-17-9(16)15-8)1-2-6(7)10(12,13)14/h1-3,8H,4H2,(H,15,16)/t8-/m1/s1
InChIKeyMTGCHURVUAAQPT-MRVPVSSYSA-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

(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184050
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183858
(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749
(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
CID 171183886
(4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171184954
(4S)-5,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171186964
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197362
(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 171184662
(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171183721
(4S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171186001
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 171184055) is (4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1N[C@@H](c2ccc(C(F)(F)F)c(F)c2)CO1.
What is the InChIKey of (4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is MTGCHURVUAAQPT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H7F4NO2/c11-7-3-5(8-4-17-9(16)15-8)1-2-6(7)10(12,13)14/h1-3,8H,4H2,(H,15,16)/t8-/m1/s1.
What are the key properties of (4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4S)-4-[3-fluoro-4-(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 (4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171184055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).