2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine

C13H16F3NS — CID 116627857

IUPAC2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESNC1(CCSC(F)(F)F)CCc2ccccc2C1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)18-8-7-12(17)6-5-10-3-1-2-4-11(10)9-12/h1-4H,5-9,17H2
InChIKeyJJNWDFYSSOUCRZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.52
Rot. Bonds3

About 2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine

2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 116627857) has the molecular formula C13H16F3NS and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID116627857
Molecular FormulaC13H16F3NS
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESNC1(CCSC(F)(F)F)CCc2ccccc2C1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)18-8-7-12(17)6-5-10-3-1-2-4-11(10)9-12/h1-4H,5-9,17H2
InChIKeyJJNWDFYSSOUCRZ-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine (CID 116627857) is 2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine is NC1(CCSC(F)(F)F)CCc2ccccc2C1.
What is the InChIKey of 2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is JJNWDFYSSOUCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NS/c14-13(15,16)18-8-7-12(17)6-5-10-3-1-2-4-11(10)9-12/h1-4H,5-9,17H2.
What are the key properties of 2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 275.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 116627857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).