3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol

C7H12F3NOS — CID 116615637

IUPAC3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol
SMILESOC1CC(NCCSC(F)(F)F)C1
InChIInChI=1S/C7H12F3NOS/c8-7(9,10)13-2-1-11-5-3-6(12)4-5/h5-6,11-12H,1-4H2
InChIKeyIGYZCQVUHZFFAP-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.35
Rot. Bonds4

About 3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol

3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol (PubChem CID 116615637) has the molecular formula C7H12F3NOS and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol
PubChem CID116615637
Molecular FormulaC7H12F3NOS
Molecular Weight215.24 g/mol
Exact Mass215.06
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol
SMILESOC1CC(NCCSC(F)(F)F)C1
InChIInChI=1S/C7H12F3NOS/c8-7(9,10)13-2-1-11-5-3-6(12)4-5/h5-6,11-12H,1-4H2
InChIKeyIGYZCQVUHZFFAP-UHFFFAOYSA-N
XLogP1.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol (CID 116615637) is 3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol is OC1CC(NCCSC(F)(F)F)C1.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol?
The InChIKey is IGYZCQVUHZFFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NOS/c8-7(9,10)13-2-1-11-5-3-6(12)4-5/h5-6,11-12H,1-4H2.
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol?
3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol is sourced from PubChem (CID 116615637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).