(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride

C9H8Cl2FNO2 — CID 171184050

IUPAC(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(Cl)c(F)c2)CO1
InChIInChI=1S/C9H7ClFNO2.ClH/c10-6-2-1-5(3-7(6)11)8-4-14-9(13)12-8;/h1-3,8H,4H2,(H,12,13);1H/t8-;/m1./s1
InChIKeyKFYSIBQAXULTDD-DDWIOCJRSA-N
MW252.07 g/mol
LogP2.68
Rot. Bonds1

About (4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride

(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171184050) has the molecular formula C9H8Cl2FNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is (4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171184050
Molecular FormulaC9H8Cl2FNO2
Molecular Weight252.07 g/mol
Exact Mass250.99
IUPAC Name(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(Cl)c(F)c2)CO1
InChIInChI=1S/C9H7ClFNO2.ClH/c10-6-2-1-5(3-7(6)11)8-4-14-9(13)12-8;/h1-3,8H,4H2,(H,12,13);1H/t8-;/m1./s1
InChIKeyKFYSIBQAXULTDD-DDWIOCJRSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183833
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183858
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
(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
(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
CID 171183886
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
(4R)-4-(2-chloro-5-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184397
(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 131128673
(4R)-4-(4-chloro-3-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171188409
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619
(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
CID 131173186

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171184050) is (4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1N[C@@H](c2ccc(Cl)c(F)c2)CO1.
What is the InChIKey of (4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is KFYSIBQAXULTDD-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H7ClFNO2.ClH/c10-6-2-1-5(3-7(6)11)8-4-14-9(13)12-8;/h1-3,8H,4H2,(H,12,13);1H/t8-;/m1./s1.
What are the key properties of (4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 252.07 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171184050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).