N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine

C10H12F5N3O — CID 129238178

IUPACN-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine
SMILESFC(F)(F)C(F)(F)c1noc(NC2CCCCC2)n1
InChIInChI=1S/C10H12F5N3O/c11-9(12,10(13,14)15)7-17-8(19-18-7)16-6-4-2-1-3-5-6/h6H,1-5H2,(H,16,17,18)
InChIKeyBZQZAMMDHNTZHI-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.47
Rot. Bonds3

About N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine

N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 129238178) has the molecular formula C10H12F5N3O and a molecular weight of 285.22 g/mol. Its IUPAC name is N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine
PubChem CID129238178
Molecular FormulaC10H12F5N3O
Molecular Weight285.22 g/mol
Exact Mass285.09
IUPAC NameN-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine
SMILESFC(F)(F)C(F)(F)c1noc(NC2CCCCC2)n1
InChIInChI=1S/C10H12F5N3O/c11-9(12,10(13,14)15)7-17-8(19-18-7)16-6-4-2-1-3-5-6/h6H,1-5H2,(H,16,17,18)
InChIKeyBZQZAMMDHNTZHI-UHFFFAOYSA-N
XLogP3.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine (CID 129238178) is N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine is FC(F)(F)C(F)(F)c1noc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is BZQZAMMDHNTZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F5N3O/c11-9(12,10(13,14)15)7-17-8(19-18-7)16-6-4-2-1-3-5-6/h6H,1-5H2,(H,16,17,18).
What are the key properties of N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine?
N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 285.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 129238178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).