5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole

C6F9NO — CID 14494661

IUPAC5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole
SMILESFc1oc(C(F)(F)C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C6F9NO/c7-2-1(5(10,11)12)16-3(17-2)4(8,9)6(13,14)15
InChIKeyQZNRBEGQHMXXRG-UHFFFAOYSA-N
MW273.05 g/mol
LogP3.49
Rot. Bonds1

About 5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole

5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 14494661) has the molecular formula C6F9NO and a molecular weight of 273.05 g/mol. Its IUPAC name is 5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole
PubChem CID14494661
Molecular FormulaC6F9NO
Molecular Weight273.05 g/mol
Exact Mass272.98
IUPAC Name5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole
SMILESFc1oc(C(F)(F)C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C6F9NO/c7-2-1(5(10,11)12)16-3(17-2)4(8,9)6(13,14)15
InChIKeyQZNRBEGQHMXXRG-UHFFFAOYSA-N
XLogP3.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.05
LogP ≤ 53.49
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-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole (CID 14494661) is 5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole is Fc1oc(C(F)(F)C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is QZNRBEGQHMXXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F9NO/c7-2-1(5(10,11)12)16-3(17-2)4(8,9)6(13,14)15.
What are the key properties of 5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole?
5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 273.05 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 14494661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).