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

C8H11F2N3O — CID 62162240

IUPACN-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESFC(F)c1nnc(CCNC2CC2)o1
InChIInChI=1S/C8H11F2N3O/c9-7(10)8-13-12-6(14-8)3-4-11-5-1-2-5/h5,7,11H,1-4H2
InChIKeyDYVBKYKOUXTDMH-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.30
Rot. Bonds5

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

N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (PubChem CID 62162240) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
PubChem CID62162240
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC NameN-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESFC(F)c1nnc(CCNC2CC2)o1
InChIInChI=1S/C8H11F2N3O/c9-7(10)8-13-12-6(14-8)3-4-11-5-1-2-5/h5,7,11H,1-4H2
InChIKeyDYVBKYKOUXTDMH-UHFFFAOYSA-N
XLogP1.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (CID 62162240) is N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is FC(F)c1nnc(CCNC2CC2)o1.
What is the InChIKey of N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is DYVBKYKOUXTDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c9-7(10)8-13-12-6(14-8)3-4-11-5-1-2-5/h5,7,11H,1-4H2.
What are the key properties of N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 203.19 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 62162240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).