5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one

C18H14ClF4NO3 — CID 22262011

IUPAC5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2cccc(OC(F)(F)C(F)F)c2)C(c2cccc(Cl)c2)O1
InChIInChI=1S/C18H14ClF4NO3/c19-12-5-2-4-11(9-12)15-14(24-17(25)26-15)8-10-3-1-6-13(7-10)27-18(22,23)16(20)21/h1-7,9,14-16H,8H2,(H,24,25)
InChIKeyXQRHHIVFQCKHAJ-UHFFFAOYSA-N
MW403.76 g/mol
LogP4.97
Rot. Bonds6

About 5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one

5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22262011) has the molecular formula C18H14ClF4NO3 and a molecular weight of 403.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22262011
Molecular FormulaC18H14ClF4NO3
Molecular Weight403.76 g/mol
Exact Mass403.06
IUPAC Name5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2cccc(OC(F)(F)C(F)F)c2)C(c2cccc(Cl)c2)O1
InChIInChI=1S/C18H14ClF4NO3/c19-12-5-2-4-11(9-12)15-14(24-17(25)26-15)8-10-3-1-6-13(7-10)27-18(22,23)16(20)21/h1-7,9,14-16H,8H2,(H,24,25)
InChIKeyXQRHHIVFQCKHAJ-UHFFFAOYSA-N
XLogP4.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.76
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-(6-chloro-3-pyridinyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 22261760
5-(5-phenoxy-2-pyridinyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 22261571
5-(4-chlorophenyl)-4-[(3-ethoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 22261945
4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 22261676
5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 22262334
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225
2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline
CID 11002165
(4R)-4-(4-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 122684505
(5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 144623707
2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
CID 3053563
(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol
CID 11955347

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one (CID 22262011) is 5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2cccc(OC(F)(F)C(F)F)c2)C(c2cccc(Cl)c2)O1.
What is the InChIKey of 5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is XQRHHIVFQCKHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF4NO3/c19-12-5-2-4-11(9-12)15-14(24-17(25)26-15)8-10-3-1-6-13(7-10)27-18(22,23)16(20)21/h1-7,9,14-16H,8H2,(H,24,25).
What are the key properties of 5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 403.76 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22262011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).