5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine

C8H9ClF3N3O — CID 106219730

IUPAC5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)C1(Nc2nnc(CCCl)o2)CC1
InChIInChI=1S/C8H9ClF3N3O/c9-4-1-5-14-15-6(16-5)13-7(2-3-7)8(10,11)12/h1-4H2,(H,13,15)
InChIKeyOMYOYIFJIFXTOO-UHFFFAOYSA-N
MW255.63 g/mol
LogP2.36
Rot. Bonds4

About 5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine

5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106219730) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine
PubChem CID106219730
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)C1(Nc2nnc(CCCl)o2)CC1
InChIInChI=1S/C8H9ClF3N3O/c9-4-1-5-14-15-6(16-5)13-7(2-3-7)8(10,11)12/h1-4H2,(H,13,15)
InChIKeyOMYOYIFJIFXTOO-UHFFFAOYSA-N
XLogP2.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine (CID 106219730) is 5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)C1(Nc2nnc(CCCl)o2)CC1.
What is the InChIKey of 5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OMYOYIFJIFXTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c9-4-1-5-14-15-6(16-5)13-7(2-3-7)8(10,11)12/h1-4H2,(H,13,15).
What are the key properties of 5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 255.63 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106219730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).