2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole

C10H13ClF3NO2 — CID 103213140

IUPAC2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
SMILESFC(F)(F)COCCc1cnc(CCCCl)o1
InChIInChI=1S/C10H13ClF3NO2/c11-4-1-2-9-15-6-8(17-9)3-5-16-7-10(12,13)14/h6H,1-5,7H2
InChIKeyCGQSXHLBDWSDRW-UHFFFAOYSA-N
MW271.67 g/mol
LogP2.97
Rot. Bonds7

About 2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole

2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole (PubChem CID 103213140) has the molecular formula C10H13ClF3NO2 and a molecular weight of 271.67 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
PubChem CID103213140
Molecular FormulaC10H13ClF3NO2
Molecular Weight271.67 g/mol
Exact Mass271.06
IUPAC Name2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
SMILESFC(F)(F)COCCc1cnc(CCCCl)o1
InChIInChI=1S/C10H13ClF3NO2/c11-4-1-2-9-15-6-8(17-9)3-5-16-7-10(12,13)14/h6H,1-5,7H2
InChIKeyCGQSXHLBDWSDRW-UHFFFAOYSA-N
XLogP2.97
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole (CID 103213140) is 2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole is FC(F)(F)COCCc1cnc(CCCCl)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole?
The InChIKey is CGQSXHLBDWSDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NO2/c11-4-1-2-9-15-6-8(17-9)3-5-16-7-10(12,13)14/h6H,1-5,7H2.
What are the key properties of 2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole?
2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole has a molecular weight of 271.67 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole is sourced from PubChem (CID 103213140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).