5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine

C12H13ClF3NS — CID 103778130

IUPAC5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)SCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H13ClF3NS/c13-10-2-1-8-6-11(7-9(8)5-10)17-3-4-18-12(14,15)16/h1-2,5,11,17H,3-4,6-7H2
InChIKeyKZGYWFGWYGMFPJ-UHFFFAOYSA-N
MW295.76 g/mol
LogP3.65
Rot. Bonds4

About 5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 103778130) has the molecular formula C12H13ClF3NS and a molecular weight of 295.76 g/mol. Its IUPAC name is 5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID103778130
Molecular FormulaC12H13ClF3NS
Molecular Weight295.76 g/mol
Exact Mass295.04
IUPAC Name5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)SCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H13ClF3NS/c13-10-2-1-8-6-11(7-9(8)5-10)17-3-4-18-12(14,15)16/h1-2,5,11,17H,3-4,6-7H2
InChIKeyKZGYWFGWYGMFPJ-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-chloro-2-indanamine
CID 20347845
5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine
CID 22757700
6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine
CID 162385015
3-((5-Chloro-2,3-dihydro-1H-inden-2-yl)amino)propanenitrile hydrochloride
CID 3030828
5-chloro-N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
CID 81296872
5-chloro-N-[2-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
CID 81297389
5-chloro-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
CID 81297827
5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81301040
5-chloro-N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81301120
5-chloro-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81308492
5-chloro-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81329499
5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81333814

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 103778130) is 5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine is FC(F)(F)SCCNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is KZGYWFGWYGMFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NS/c13-10-2-1-8-6-11(7-9(8)5-10)17-3-4-18-12(14,15)16/h1-2,5,11,17H,3-4,6-7H2.
What are the key properties of 5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 295.76 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 103778130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).