[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine

C11H18F3NS — CID 116617687

IUPAC[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1(CCSC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C11H18F3NS/c12-11(13,14)16-4-3-10(7-15)6-8-1-2-9(10)5-8/h8-9H,1-7,15H2
InChIKeyUIQYIVWEEAMRGB-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.39
Rot. Bonds4

About [2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine

[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 116617687) has the molecular formula C11H18F3NS and a molecular weight of 253.33 g/mol. Its IUPAC name is [2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID116617687
Molecular FormulaC11H18F3NS
Molecular Weight253.33 g/mol
Exact Mass253.11
IUPAC Name[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1(CCSC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C11H18F3NS/c12-11(13,14)16-4-3-10(7-15)6-8-1-2-9(10)5-8/h8-9H,1-7,15H2
InChIKeyUIQYIVWEEAMRGB-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.39
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]-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine (CID 116617687) is [2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine is NCC1(CCSC(F)(F)F)CC2CCC1C2.
What is the InChIKey of [2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is UIQYIVWEEAMRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NS/c12-11(13,14)16-4-3-10(7-15)6-8-1-2-9(10)5-8/h8-9H,1-7,15H2.
What are the key properties of [2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 253.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 116617687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).