2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole

C13H11F5N2O2 — CID 58360210

IUPAC2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole
SMILESFC(F)(F)C(F)(F)COCC1Cn2c(nc3ccccc32)O1
InChIInChI=1S/C13H11F5N2O2/c14-12(15,13(16,17)18)7-21-6-8-5-20-10-4-2-1-3-9(10)19-11(20)22-8/h1-4,8H,5-7H2
InChIKeyGSNLAWAQDYLNPV-UHFFFAOYSA-N
MW322.23 g/mol
LogP3.01
Rot. Bonds4

About 2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole

2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 58360210) has the molecular formula C13H11F5N2O2 and a molecular weight of 322.23 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole
PubChem CID58360210
Molecular FormulaC13H11F5N2O2
Molecular Weight322.23 g/mol
Exact Mass322.07
IUPAC Name2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole
SMILESFC(F)(F)C(F)(F)COCC1Cn2c(nc3ccccc32)O1
InChIInChI=1S/C13H11F5N2O2/c14-12(15,13(16,17)18)7-21-6-8-5-20-10-4-2-1-3-9(10)19-11(20)22-8/h1-4,8H,5-7H2
InChIKeyGSNLAWAQDYLNPV-UHFFFAOYSA-N
XLogP3.01
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole (CID 58360210) is 2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole is FC(F)(F)C(F)(F)COCC1Cn2c(nc3ccccc32)O1.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole?
The InChIKey is GSNLAWAQDYLNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F5N2O2/c14-12(15,13(16,17)18)7-21-6-8-5-20-10-4-2-1-3-9(10)19-11(20)22-8/h1-4,8H,5-7H2.
What are the key properties of 2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole?
2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole has a molecular weight of 322.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 58360210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).