1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile

C8H10F3NS — CID 116627789

IUPAC1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CCSC(F)(F)F)CCC1
InChIInChI=1S/C8H10F3NS/c9-8(10,11)13-5-4-7(6-12)2-1-3-7/h1-5H2
InChIKeyARCZFSWMABHTNJ-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.32
Rot. Bonds3

About 1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile

1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile (PubChem CID 116627789) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile
PubChem CID116627789
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CCSC(F)(F)F)CCC1
InChIInChI=1S/C8H10F3NS/c9-8(10,11)13-5-4-7(6-12)2-1-3-7/h1-5H2
InChIKeyARCZFSWMABHTNJ-UHFFFAOYSA-N
XLogP3.32
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile (CID 116627789) is 1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile is N#CC1(CCSC(F)(F)F)CCC1.
What is the InChIKey of 1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile?
The InChIKey is ARCZFSWMABHTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c9-8(10,11)13-5-4-7(6-12)2-1-3-7/h1-5H2.
What are the key properties of 1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile?
1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile has a molecular weight of 209.24 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116627789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).