N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine

C9H12F3N3O — CID 58430908

IUPACN-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine
SMILESCC(C)NC1(c2noc(C(F)(F)F)n2)CC1
InChIInChI=1S/C9H12F3N3O/c1-5(2)14-8(3-4-8)6-13-7(16-15-6)9(10,11)12/h5,14H,3-4H2,1-2H3
InChIKeyZKDHMBBDVFDTAR-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.08
Rot. Bonds3

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

N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine (PubChem CID 58430908) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine
PubChem CID58430908
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine
SMILESCC(C)NC1(c2noc(C(F)(F)F)n2)CC1
InChIInChI=1S/C9H12F3N3O/c1-5(2)14-8(3-4-8)6-13-7(16-15-6)9(10,11)12/h5,14H,3-4H2,1-2H3
InChIKeyZKDHMBBDVFDTAR-UHFFFAOYSA-N
XLogP2.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine?
The IUPAC name of N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine (CID 58430908) is N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine.
What is the SMILES notation for N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine?
The canonical SMILES for N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine is CC(C)NC1(c2noc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine?
The InChIKey is ZKDHMBBDVFDTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5(2)14-8(3-4-8)6-13-7(16-15-6)9(10,11)12/h5,14H,3-4H2,1-2H3.
What are the key properties of N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine?
N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine has a molecular weight of 235.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 58430908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).