3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine

C7H12F3NOS — CID 116627768

IUPAC3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
SMILESNC1(CCSC(F)(F)F)CCOC1
InChIInChI=1S/C7H12F3NOS/c8-7(9,10)13-4-2-6(11)1-3-12-5-6/h1-5,11H2
InChIKeyTYZHPAXTBMMEML-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.75
Rot. Bonds3

About 3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine

3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine (PubChem CID 116627768) has the molecular formula C7H12F3NOS and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
PubChem CID116627768
Molecular FormulaC7H12F3NOS
Molecular Weight215.24 g/mol
Exact Mass215.06
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
SMILESNC1(CCSC(F)(F)F)CCOC1
InChIInChI=1S/C7H12F3NOS/c8-7(9,10)13-4-2-6(11)1-3-12-5-6/h1-5,11H2
InChIKeyTYZHPAXTBMMEML-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine (CID 116627768) is 3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine is NC1(CCSC(F)(F)F)CCOC1.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine?
The InChIKey is TYZHPAXTBMMEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NOS/c8-7(9,10)13-4-2-6(11)1-3-12-5-6/h1-5,11H2.
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine?
3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine has a molecular weight of 215.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 116627768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).