2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole

C8H9ClF3NO — CID 65179540

IUPAC2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESFC(F)(F)Cc1cnc(CCCCl)o1
InChIInChI=1S/C8H9ClF3NO/c9-3-1-2-7-13-5-6(14-7)4-8(10,11)12/h5H,1-4H2
InChIKeyRRPMJGGOWIICBT-UHFFFAOYSA-N
MW227.61 g/mol
LogP2.95
Rot. Bonds4

About 2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole

2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole (PubChem CID 65179540) has the molecular formula C8H9ClF3NO and a molecular weight of 227.61 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
PubChem CID65179540
Molecular FormulaC8H9ClF3NO
Molecular Weight227.61 g/mol
Exact Mass227.03
IUPAC Name2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESFC(F)(F)Cc1cnc(CCCCl)o1
InChIInChI=1S/C8H9ClF3NO/c9-3-1-2-7-13-5-6(14-7)4-8(10,11)12/h5H,1-4H2
InChIKeyRRPMJGGOWIICBT-UHFFFAOYSA-N
XLogP2.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole (CID 65179540) is 2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole is FC(F)(F)Cc1cnc(CCCCl)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The InChIKey is RRPMJGGOWIICBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NO/c9-3-1-2-7-13-5-6(14-7)4-8(10,11)12/h5H,1-4H2.
What are the key properties of 2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole has a molecular weight of 227.61 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole is sourced from PubChem (CID 65179540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).