N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

C9H13F2N3O — CID 62137291

IUPACN-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESFC(F)c1nnc(CCCNC2CC2)o1
InChIInChI=1S/C9H13F2N3O/c10-8(11)9-14-13-7(15-9)2-1-5-12-6-3-4-6/h6,8,12H,1-5H2
InChIKeyLRULKAZKHAQQBB-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.69
Rot. Bonds6

About N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 62137291) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
PubChem CID62137291
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC NameN-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESFC(F)c1nnc(CCCNC2CC2)o1
InChIInChI=1S/C9H13F2N3O/c10-8(11)9-14-13-7(15-9)2-1-5-12-6-3-4-6/h6,8,12H,1-5H2
InChIKeyLRULKAZKHAQQBB-UHFFFAOYSA-N
XLogP1.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (CID 62137291) is N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is FC(F)c1nnc(CCCNC2CC2)o1.
What is the InChIKey of N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is LRULKAZKHAQQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c10-8(11)9-14-13-7(15-9)2-1-5-12-6-3-4-6/h6,8,12H,1-5H2.
What are the key properties of N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 217.22 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 62137291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).