5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine

C12H9F4N3O — CID 116531567

IUPAC5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCc2cc(F)ccc21
InChIInChI=1S/C12H9F4N3O/c13-7-1-2-8-6(5-7)3-4-11(8,17)9-18-10(20-19-9)12(14,15)16/h1-2,5H,3-4,17H2
InChIKeyCVBAAFPDXXKZHW-UHFFFAOYSA-N
MW287.22 g/mol
LogP2.38
Rot. Bonds1

About 5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine

5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine (PubChem CID 116531567) has the molecular formula C12H9F4N3O and a molecular weight of 287.22 g/mol. Its IUPAC name is 5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine
PubChem CID116531567
Molecular FormulaC12H9F4N3O
Molecular Weight287.22 g/mol
Exact Mass287.07
IUPAC Name5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCc2cc(F)ccc21
InChIInChI=1S/C12H9F4N3O/c13-7-1-2-8-6(5-7)3-4-11(8,17)9-18-10(20-19-9)12(14,15)16/h1-2,5H,3-4,17H2
InChIKeyCVBAAFPDXXKZHW-UHFFFAOYSA-N
XLogP2.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrothiochromen-4-amine
CID 43560032
1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531885
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 91641536
5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine
CID 116532005
1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531960
5-fluoro-1-quinolin-5-yl-2,3-dihydroinden-1-amine
CID 116531900
5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine
CID 116532073
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine
CID 43559220
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine
CID 63333278
1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116532011
5,5-dimethyl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thian-3-amine
CID 79947623
1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine
CID 55120511

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine?
The IUPAC name of 5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine (CID 116531567) is 5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine.
What is the SMILES notation for 5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine?
The canonical SMILES for 5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine is NC1(c2noc(C(F)(F)F)n2)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine?
The InChIKey is CVBAAFPDXXKZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O/c13-7-1-2-8-6(5-7)3-4-11(8,17)9-18-10(20-19-9)12(14,15)16/h1-2,5H,3-4,17H2.
What are the key properties of 5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine?
5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine has a molecular weight of 287.22 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116531567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).