4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol

C12H17F2NO3 — CID 143702720

IUPAC4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol
SMILESCC.CO.O=C1NC(c2cc(F)cc(F)c2)CO1
InChIInChI=1S/C9H7F2NO2.C2H6.CH4O/c10-6-1-5(2-7(11)3-6)8-4-14-9(13)12-8;2*1-2/h1-3,8H,4H2,(H,12,13);1-2H3;2H,1H3
InChIKeyWYIGHOCNYXWJDA-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.38
Rot. Bonds1

About 4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol

4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol (PubChem CID 143702720) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol
PubChem CID143702720
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol
SMILESCC.CO.O=C1NC(c2cc(F)cc(F)c2)CO1
InChIInChI=1S/C9H7F2NO2.C2H6.CH4O/c10-6-1-5(2-7(11)3-6)8-4-14-9(13)12-8;2*1-2/h1-3,8H,4H2,(H,12,13);1-2H3;2H,1H3
InChIKeyWYIGHOCNYXWJDA-UHFFFAOYSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
CID 171183886
(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184997
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171183721
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183858
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
(4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183884
4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 130146009
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130147402

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol?
The IUPAC name of 4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol (CID 143702720) is 4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol.
What is the SMILES notation for 4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol?
The canonical SMILES for 4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol is CC.CO.O=C1NC(c2cc(F)cc(F)c2)CO1.
What is the InChIKey of 4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol?
The InChIKey is WYIGHOCNYXWJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2.C2H6.CH4O/c10-6-1-5(2-7(11)3-6)8-4-14-9(13)12-8;2*1-2/h1-3,8H,4H2,(H,12,13);1-2H3;2H,1H3.
What are the key properties of 4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol?
4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol has a molecular weight of 261.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol is sourced from PubChem (CID 143702720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).