2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine

C7H12F3NS — CID 116628122

IUPAC2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
SMILESNC1CCC1CCSC(F)(F)F
InChIInChI=1S/C7H12F3NS/c8-7(9,10)12-4-3-5-1-2-6(5)11/h5-6H,1-4,11H2
InChIKeyBTBOYWVPYULKIR-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.37
Rot. Bonds3

About 2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine

2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine (PubChem CID 116628122) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
PubChem CID116628122
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC Name2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
SMILESNC1CCC1CCSC(F)(F)F
InChIInChI=1S/C7H12F3NS/c8-7(9,10)12-4-3-5-1-2-6(5)11/h5-6H,1-4,11H2
InChIKeyBTBOYWVPYULKIR-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.37
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]cyclobutan-1-amine?
The IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine (CID 116628122) is 2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine is NC1CCC1CCSC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
The InChIKey is BTBOYWVPYULKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c8-7(9,10)12-4-3-5-1-2-6(5)11/h5-6H,1-4,11H2.
What are the key properties of 2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.37, 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]cyclobutan-1-amine is sourced from PubChem (CID 116628122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).