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

C7H12F2OS — CID 126976464

IUPAC2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol
SMILESCSC1(C(O)C(F)F)CCC1
InChIInChI=1S/C7H12F2OS/c1-11-7(3-2-4-7)5(10)6(8)9/h5-6,10H,2-4H2,1H3
InChIKeyKJMCIOQIIXRKOA-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.90
Rot. Bonds3

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

2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol (PubChem CID 126976464) has the molecular formula C7H12F2OS and a molecular weight of 182.23 g/mol. Its IUPAC name is 2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol
PubChem CID126976464
Molecular FormulaC7H12F2OS
Molecular Weight182.23 g/mol
Exact Mass182.06
IUPAC Name2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol
SMILESCSC1(C(O)C(F)F)CCC1
InChIInChI=1S/C7H12F2OS/c1-11-7(3-2-4-7)5(10)6(8)9/h5-6,10H,2-4H2,1H3
InChIKeyKJMCIOQIIXRKOA-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol?
The IUPAC name of 2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol (CID 126976464) is 2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol is CSC1(C(O)C(F)F)CCC1.
What is the InChIKey of 2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol?
The InChIKey is KJMCIOQIIXRKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2OS/c1-11-7(3-2-4-7)5(10)6(8)9/h5-6,10H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol?
2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol has a molecular weight of 182.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1-methylsulfanylcyclobutyl)ethanol is sourced from PubChem (CID 126976464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).