2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C8H11ClF3N3O2 — CID 107495556

IUPAC2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(Cl)c1nnc(N(CCO)CC(F)(F)F)o1
InChIInChI=1S/C8H11ClF3N3O2/c1-5(9)6-13-14-7(17-6)15(2-3-16)4-8(10,11)12/h5,16H,2-4H2,1H3
InChIKeyVKCIJZOXMYSVLS-UHFFFAOYSA-N
MW273.64 g/mol
LogP1.73
Rot. Bonds5

About 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495556) has the molecular formula C8H11ClF3N3O2 and a molecular weight of 273.64 g/mol. Its IUPAC name is 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495556
Molecular FormulaC8H11ClF3N3O2
Molecular Weight273.64 g/mol
Exact Mass273.05
IUPAC Name2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(Cl)c1nnc(N(CCO)CC(F)(F)F)o1
InChIInChI=1S/C8H11ClF3N3O2/c1-5(9)6-13-14-7(17-6)15(2-3-16)4-8(10,11)12/h5,16H,2-4H2,1H3
InChIKeyVKCIJZOXMYSVLS-UHFFFAOYSA-N
XLogP1.73
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.64
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495569
2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106956989
3-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]propan-1-ol
CID 106958613
5-(1-chloroethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106958009
N-butyl-5-(1-chloroethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958895
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106969917
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484584
2-[benzyl-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106960309
2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107482177
5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106956840
2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480617

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495556) is 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol is CC(Cl)c1nnc(N(CCO)CC(F)(F)F)o1.
What is the InChIKey of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is VKCIJZOXMYSVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3N3O2/c1-5(9)6-13-14-7(17-6)15(2-3-16)4-8(10,11)12/h5,16H,2-4H2,1H3.
What are the key properties of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 273.64 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).