2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol

C7H11F3OS — CID 130506444

IUPAC2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol
SMILESCSC1(C(O)C(F)(F)F)CCC1
InChIInChI=1S/C7H11F3OS/c1-12-6(3-2-4-6)5(11)7(8,9)10/h5,11H,2-4H2,1H3
InChIKeyQEJNOIPXLBMSHB-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.20
Rot. Bonds2

About 2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol

2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol (PubChem CID 130506444) has the molecular formula C7H11F3OS and a molecular weight of 200.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol
PubChem CID130506444
Molecular FormulaC7H11F3OS
Molecular Weight200.22 g/mol
Exact Mass200.05
IUPAC Name2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol
SMILESCSC1(C(O)C(F)(F)F)CCC1
InChIInChI=1S/C7H11F3OS/c1-12-6(3-2-4-6)5(11)7(8,9)10/h5,11H,2-4H2,1H3
InChIKeyQEJNOIPXLBMSHB-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol (CID 130506444) is 2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol is CSC1(C(O)C(F)(F)F)CCC1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol?
The InChIKey is QEJNOIPXLBMSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3OS/c1-12-6(3-2-4-6)5(11)7(8,9)10/h5,11H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol?
2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol has a molecular weight of 200.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methylsulfanylcyclobutyl)ethanol is sourced from PubChem (CID 130506444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).