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

C10H8F3NO2 — CID 124509749

IUPAC(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8-5-16-9(15)14-8/h1-4,8H,5H2,(H,14,15)/t8-/m1/s1
InChIKeyWONDZQDQIYMEDF-MRVPVSSYSA-N
MW231.17 g/mol
LogP2.49
Rot. Bonds1

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

(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 124509749) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is (4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID124509749
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8-5-16-9(15)14-8/h1-4,8H,5H2,(H,14,15)/t8-/m1/s1
InChIKeyWONDZQDQIYMEDF-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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Related Compounds

(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
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184055
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171183951
(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 170782739
(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 12065059
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184265
(4R)-4-(4-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 171184568
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 124509749) is (4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of (4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is WONDZQDQIYMEDF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8-5-16-9(15)14-8/h1-4,8H,5H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4S)-4-[4-(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 (4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 124509749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).