2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole

C5H2ClF5N2O — CID 104632661

IUPAC2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)C(F)(F)c1nnc(CCl)o1
InChIInChI=1S/C5H2ClF5N2O/c6-1-2-12-13-3(14-2)4(7,8)5(9,10)11/h1H2
InChIKeyBCQMHHZGPKLUII-UHFFFAOYSA-N
MW236.53 g/mol
LogP2.46
Rot. Bonds2

About 2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole

2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole (PubChem CID 104632661) has the molecular formula C5H2ClF5N2O and a molecular weight of 236.53 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole
PubChem CID104632661
Molecular FormulaC5H2ClF5N2O
Molecular Weight236.53 g/mol
Exact Mass235.98
IUPAC Name2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)C(F)(F)c1nnc(CCl)o1
InChIInChI=1S/C5H2ClF5N2O/c6-1-2-12-13-3(14-2)4(7,8)5(9,10)11/h1H2
InChIKeyBCQMHHZGPKLUII-UHFFFAOYSA-N
XLogP2.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.53
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-(trichloromethyl)-1,3,4-oxadiazole
CID 23462322
5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole
CID 164658928
2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole
CID 104632668
2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103206275
2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 130710201
2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane
CID 145188643
2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 54852620
2-(methylsulfanylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 130858001
[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 104632907
2-(chloromethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 53440894
2-(chloromethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole
CID 65101529
2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 30060551

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole (CID 104632661) is 2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole is FC(F)(F)C(F)(F)c1nnc(CCl)o1.
What is the InChIKey of 2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole?
The InChIKey is BCQMHHZGPKLUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF5N2O/c6-1-2-12-13-3(14-2)4(7,8)5(9,10)11/h1H2.
What are the key properties of 2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole has a molecular weight of 236.53 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 104632661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).