1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine

C6H7F2N3O — CID 67395978

IUPAC1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESNC1(c2nc(C(F)F)no2)CC1
InChIInChI=1S/C6H7F2N3O/c7-3(8)4-10-5(12-11-4)6(9)1-2-6/h3H,1-2,9H2
InChIKeyDADFEFRFKTVYKE-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.95
Rot. Bonds2

About 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine

1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (PubChem CID 67395978) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
PubChem CID67395978
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESNC1(c2nc(C(F)F)no2)CC1
InChIInChI=1S/C6H7F2N3O/c7-3(8)4-10-5(12-11-4)6(9)1-2-6/h3H,1-2,9H2
InChIKeyDADFEFRFKTVYKE-UHFFFAOYSA-N
XLogP0.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (CID 67395978) is 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is NC1(c2nc(C(F)F)no2)CC1.
What is the InChIKey of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The InChIKey is DADFEFRFKTVYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-3(8)4-10-5(12-11-4)6(9)1-2-6/h3H,1-2,9H2.
What are the key properties of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine has a molecular weight of 175.14 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 67395978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).