(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride

C11H8ClF6NO2 — CID 171183721

IUPAC(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CO1
InChIInChI=1S/C11H7F6NO2.ClH/c12-10(13,14)6-1-5(8-4-20-9(19)18-8)2-7(3-6)11(15,16)17;/h1-3,8H,4H2,(H,18,19);1H/t8-;/m1./s1
InChIKeyMXDUFMCNSLWGBC-DDWIOCJRSA-N
MW335.63 g/mol
LogP3.93
Rot. Bonds1

About (4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride

(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171183721) has the molecular formula C11H8ClF6NO2 and a molecular weight of 335.63 g/mol. Its IUPAC name is (4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171183721
Molecular FormulaC11H8ClF6NO2
Molecular Weight335.63 g/mol
Exact Mass335.01
IUPAC Name(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CO1
InChIInChI=1S/C11H7F6NO2.ClH/c12-10(13,14)6-1-5(8-4-20-9(19)18-8)2-7(3-6)11(15,16)17;/h1-3,8H,4H2,(H,18,19);1H/t8-;/m1./s1
InChIKeyMXDUFMCNSLWGBC-DDWIOCJRSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171183951
(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749
(4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171185109
(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 171184662
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
CID 171183886
(4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184015
(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184055
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4S)-4-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184157
4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol
CID 143702720
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride (CID 171183721) is (4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CO1.
What is the InChIKey of (4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is MXDUFMCNSLWGBC-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H7F6NO2.ClH/c12-10(13,14)6-1-5(8-4-20-9(19)18-8)2-7(3-6)11(15,16)17;/h1-3,8H,4H2,(H,18,19);1H/t8-;/m1./s1.
What are the key properties of (4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 335.63 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171183721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).