5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole

C18H10F7NO — CID 10762904

IUPAC5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1oc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H10F7NO/c19-16(20,17(21,22)18(23,24)25)14-13(11-7-3-1-4-8-11)26-15(27-14)12-9-5-2-6-10-12/h1-10H
InChIKeyQKUMWVIVDCFPRJ-UHFFFAOYSA-N
MW389.27 g/mol
LogP6.30
Rot. Bonds4

About 5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole

5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole (PubChem CID 10762904) has the molecular formula C18H10F7NO and a molecular weight of 389.27 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole
PubChem CID10762904
Molecular FormulaC18H10F7NO
Molecular Weight389.27 g/mol
Exact Mass389.07
IUPAC Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1oc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H10F7NO/c19-16(20,17(21,22)18(23,24)25)14-13(11-7-3-1-4-8-11)26-15(27-14)12-9-5-2-6-10-12/h1-10H
InChIKeyQKUMWVIVDCFPRJ-UHFFFAOYSA-N
XLogP6.30
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.27
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole?
The IUPAC name of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole (CID 10762904) is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole.
What is the SMILES notation for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole?
The canonical SMILES for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole is FC(F)(F)C(F)(F)C(F)(F)c1oc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole?
The InChIKey is QKUMWVIVDCFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F7NO/c19-16(20,17(21,22)18(23,24)25)14-13(11-7-3-1-4-8-11)26-15(27-14)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole?
5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole has a molecular weight of 389.27 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-2,4-diphenyl-1,3-oxazole is sourced from PubChem (CID 10762904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).