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

C8H9ClF3NO2 — CID 103213128

IUPAC2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
SMILESFC(F)(F)COCCc1cnc(CCl)o1
InChIInChI=1S/C8H9ClF3NO2/c9-3-7-13-4-6(15-7)1-2-14-5-8(10,11)12/h4H,1-3,5H2
InChIKeyMRIONBTVNHXZJH-UHFFFAOYSA-N
MW243.61 g/mol
LogP2.53
Rot. Bonds5

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

2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole (PubChem CID 103213128) has the molecular formula C8H9ClF3NO2 and a molecular weight of 243.61 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
PubChem CID103213128
Molecular FormulaC8H9ClF3NO2
Molecular Weight243.61 g/mol
Exact Mass243.03
IUPAC Name2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
SMILESFC(F)(F)COCCc1cnc(CCl)o1
InChIInChI=1S/C8H9ClF3NO2/c9-3-7-13-4-6(15-7)1-2-14-5-8(10,11)12/h4H,1-3,5H2
InChIKeyMRIONBTVNHXZJH-UHFFFAOYSA-N
XLogP2.53
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.61
LogP ≤ 52.53
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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Related Compounds

N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine
CID 103213216
2-(1-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
CID 103213132
2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103206275
2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 103213242
4-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
CID 103213594
2-methyl-N-[3-[5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 103213243
2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole
CID 114459222
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol
CID 103213590
2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole
CID 65179822
4-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole
CID 106720831
2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181973

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole (CID 103213128) is 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole is FC(F)(F)COCCc1cnc(CCl)o1.
What is the InChIKey of 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole?
The InChIKey is MRIONBTVNHXZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NO2/c9-3-7-13-4-6(15-7)1-2-14-5-8(10,11)12/h4H,1-3,5H2.
What are the key properties of 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole?
2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole has a molecular weight of 243.61 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole is sourced from PubChem (CID 103213128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).