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

C11H15F4N3O — CID 175623786

IUPACN-cyclohexyl-3-(1,1,2,2-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine
SMILESCC(F)(F)C(F)(F)c1noc(NC2CCCCC2)n1
InChIInChI=1S/C11H15F4N3O/c1-10(12,13)11(14,15)8-17-9(19-18-8)16-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,16,17,18)
InChIKeyWHSNHOHZCROSDP-UHFFFAOYSA-N
MW281.25 g/mol
LogP3.56
Rot. Bonds4

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

N-cyclohexyl-3-(1,1,2,2-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 175623786) has the molecular formula C11H15F4N3O and a molecular weight of 281.25 g/mol. Its IUPAC name is N-cyclohexyl-3-(1,1,2,2-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(1,1,2,2-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine
PubChem CID175623786
Molecular FormulaC11H15F4N3O
Molecular Weight281.25 g/mol
Exact Mass281.12
IUPAC NameN-cyclohexyl-3-(1,1,2,2-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine
SMILESCC(F)(F)C(F)(F)c1noc(NC2CCCCC2)n1
InChIInChI=1S/C11H15F4N3O/c1-10(12,13)11(14,15)8-17-9(19-18-8)16-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,16,17,18)
InChIKeyWHSNHOHZCROSDP-UHFFFAOYSA-N
XLogP3.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 53.56
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-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclohexyl-3-(1,1,2,2-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine (CID 175623786) is N-cyclohexyl-3-(1,1,2,2-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclohexyl-3-(1,1,2,2-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclohexyl-3-(1,1,2,2-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine is CC(F)(F)C(F)(F)c1noc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-3-(1,1,2,2-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is WHSNHOHZCROSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O/c1-10(12,13)11(14,15)8-17-9(19-18-8)16-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,16,17,18).
What are the key properties of N-cyclohexyl-3-(1,1,2,2-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine?
N-cyclohexyl-3-(1,1,2,2-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 281.25 g/mol, XLogP of 3.56, 4 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-tetrafluoropropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 175623786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).