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

C7H9F2N3O — CID 62138324

IUPACN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)c1nnc(CNC2CC2)o1
InChIInChI=1S/C7H9F2N3O/c8-6(9)7-12-11-5(13-7)3-10-4-1-2-4/h4,6,10H,1-3H2
InChIKeyKARLWRPXBZFALB-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.26
Rot. Bonds4

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

N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62138324) has the molecular formula C7H9F2N3O and a molecular weight of 189.16 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID62138324
Molecular FormulaC7H9F2N3O
Molecular Weight189.16 g/mol
Exact Mass189.07
IUPAC NameN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)c1nnc(CNC2CC2)o1
InChIInChI=1S/C7H9F2N3O/c8-6(9)7-12-11-5(13-7)3-10-4-1-2-4/h4,6,10H,1-3H2
InChIKeyKARLWRPXBZFALB-UHFFFAOYSA-N
XLogP1.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 62138324) is N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is FC(F)c1nnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is KARLWRPXBZFALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-6(9)7-12-11-5(13-7)3-10-4-1-2-4/h4,6,10H,1-3H2.
What are the key properties of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 189.16 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62138324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).