[3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol

C7H12F2OS — CID 155820376

IUPAC[3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol
SMILESCSCC1(CO)CC(F)(F)C1
InChIInChI=1S/C7H12F2OS/c1-11-5-6(4-10)2-7(8,9)3-6/h10H,2-5H2,1H3
InChIKeyCQNMUUOGLJEMLI-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.76
Rot. Bonds3

About [3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol

[3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol (PubChem CID 155820376) has the molecular formula C7H12F2OS and a molecular weight of 182.23 g/mol. Its IUPAC name is [3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol
PubChem CID155820376
Molecular FormulaC7H12F2OS
Molecular Weight182.23 g/mol
Exact Mass182.06
IUPAC Name[3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol
SMILESCSCC1(CO)CC(F)(F)C1
InChIInChI=1S/C7H12F2OS/c1-11-5-6(4-10)2-7(8,9)3-6/h10H,2-5H2,1H3
InChIKeyCQNMUUOGLJEMLI-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol?
The IUPAC name of [3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol (CID 155820376) is [3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol.
What is the SMILES notation for [3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol?
The canonical SMILES for [3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol is CSCC1(CO)CC(F)(F)C1.
What is the InChIKey of [3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol?
The InChIKey is CQNMUUOGLJEMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2OS/c1-11-5-6(4-10)2-7(8,9)3-6/h10H,2-5H2,1H3.
What are the key properties of [3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol?
[3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol has a molecular weight of 182.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol is sourced from PubChem (CID 155820376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).