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

C19H16F5NO3 — CID 22261612

IUPAC5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(CC2NC(=O)OC2c2ccc(F)cc2)cc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C19H16F5NO3/c1-10-6-11(8-14(7-10)28-19(23,24)17(21)22)9-15-16(27-18(26)25-15)12-2-4-13(20)5-3-12/h2-8,15-17H,9H2,1H3,(H,25,26)
InChIKeyVRFQAHHROKRZDC-UHFFFAOYSA-N
MW401.33 g/mol
LogP4.76
Rot. Bonds6

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

5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22261612) has the molecular formula C19H16F5NO3 and a molecular weight of 401.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22261612
Molecular FormulaC19H16F5NO3
Molecular Weight401.33 g/mol
Exact Mass401.11
IUPAC Name5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(CC2NC(=O)OC2c2ccc(F)cc2)cc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C19H16F5NO3/c1-10-6-11(8-14(7-10)28-19(23,24)17(21)22)9-15-16(27-18(26)25-15)12-2-4-13(20)5-3-12/h2-8,15-17H,9H2,1H3,(H,25,26)
InChIKeyVRFQAHHROKRZDC-UHFFFAOYSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.33
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one (CID 22261612) is 5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one is Cc1cc(CC2NC(=O)OC2c2ccc(F)cc2)cc(OC(F)(F)C(F)F)c1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is VRFQAHHROKRZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5NO3/c1-10-6-11(8-14(7-10)28-19(23,24)17(21)22)9-15-16(27-18(26)25-15)12-2-4-13(20)5-3-12/h2-8,15-17H,9H2,1H3,(H,25,26).
What are the key properties of 5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 401.33 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[[3-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).