5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole

C19H8F12N2O — CID 16743535

IUPAC5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2c(-c3ccc(C(F)(F)F)cc3)nc(F)c(C(F)(F)F)c2C(F)(F)C(F)(F)F)on1
InChIInChI=1S/C19H8F12N2O/c1-7-6-10(34-33-7)11-12(16(21,22)19(29,30)31)13(18(26,27)28)15(20)32-14(11)8-2-4-9(5-3-8)17(23,24)25/h2-6H,1H3
InChIKeyUBFCGVHEKVIASQ-UHFFFAOYSA-N
MW508.26 g/mol
LogP7.54
Rot. Bonds3

About 5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole

5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole (PubChem CID 16743535) has the molecular formula C19H8F12N2O and a molecular weight of 508.26 g/mol. Its IUPAC name is 5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole
PubChem CID16743535
Molecular FormulaC19H8F12N2O
Molecular Weight508.26 g/mol
Exact Mass508.04
IUPAC Name5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2c(-c3ccc(C(F)(F)F)cc3)nc(F)c(C(F)(F)F)c2C(F)(F)C(F)(F)F)on1
InChIInChI=1S/C19H8F12N2O/c1-7-6-10(34-33-7)11-12(16(21,22)19(29,30)31)13(18(26,27)28)15(20)32-14(11)8-2-4-9(5-3-8)17(23,24)25/h2-6H,1H3
InChIKeyUBFCGVHEKVIASQ-UHFFFAOYSA-N
XLogP7.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.26
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole (CID 16743535) is 5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole is Cc1cc(-c2c(-c3ccc(C(F)(F)F)cc3)nc(F)c(C(F)(F)F)c2C(F)(F)C(F)(F)F)on1.
What is the InChIKey of 5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole?
The InChIKey is UBFCGVHEKVIASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8F12N2O/c1-7-6-10(34-33-7)11-12(16(21,22)19(29,30)31)13(18(26,27)28)15(20)32-14(11)8-2-4-9(5-3-8)17(23,24)25/h2-6H,1H3.
What are the key properties of 5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole?
5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole has a molecular weight of 508.26 g/mol, XLogP of 7.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 16743535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).