1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine

C13H12F3N3O — CID 43560011

IUPAC1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCCc2ccccc21
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)11-18-10(19-20-11)12(17)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7,17H2
InChIKeyIGSHYPBYJYMSKV-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.63
Rot. Bonds1

About 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine

1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 43560011) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID43560011
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCCc2ccccc21
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)11-18-10(19-20-11)12(17)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7,17H2
InChIKeyIGSHYPBYJYMSKV-UHFFFAOYSA-N
XLogP2.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine (CID 43560011) is 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine is NC1(c2noc(C(F)(F)F)n2)CCCc2ccccc21.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is IGSHYPBYJYMSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)11-18-10(19-20-11)12(17)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7,17H2.
What are the key properties of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine?
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 283.25 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 43560011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).