[(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol

C7H12F2OS — CID 167145267

IUPAC[(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol
SMILESCS[C@@]1(CO)CCC(F)(F)C1
InChIInChI=1S/C7H12F2OS/c1-11-6(5-10)2-3-7(8,9)4-6/h10H,2-5H2,1H3/t6-/m0/s1
InChIKeyABIBIDXEUBNWQC-LURJTMIESA-N
MW182.23 g/mol
LogP1.90
Rot. Bonds2

About [(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol

[(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol (PubChem CID 167145267) has the molecular formula C7H12F2OS and a molecular weight of 182.23 g/mol. Its IUPAC name is [(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol
PubChem CID167145267
Molecular FormulaC7H12F2OS
Molecular Weight182.23 g/mol
Exact Mass182.06
IUPAC Name[(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol
SMILESCS[C@@]1(CO)CCC(F)(F)C1
InChIInChI=1S/C7H12F2OS/c1-11-6(5-10)2-3-7(8,9)4-6/h10H,2-5H2,1H3/t6-/m0/s1
InChIKeyABIBIDXEUBNWQC-LURJTMIESA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

[(2S,4R,5S)-5-methyl-4-(trifluoromethyl)thiolan-2-yl]methanol
CID 68034780
(4-Fluoro-4,5-dimethylthiolan-2-yl)methanol
CID 90982455
(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol
CID 118119213
2-[5-(Trifluoromethyl)thiolan-3-yl]ethanol
CID 169666439
2,2-Difluoro-3-(thiolan-3-yl)propan-1-ol
CID 105440134
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol
CID 116627876
2-[2-(Trifluoromethylsulfanyl)ethyl]pentan-1-ol
CID 116627887
(4S,5R)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol
CID 159789997
3,3-Difluoro-3-(thiolan-3-yl)propan-1-ol
CID 165631916
(1-Methylsulfanylcyclopentyl)methanol
CID 123738329

Frequently Asked Questions

What is the IUPAC name of [(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol?
The IUPAC name of [(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol (CID 167145267) is [(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol.
What is the SMILES notation for [(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol?
The canonical SMILES for [(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol is CS[C@@]1(CO)CCC(F)(F)C1.
What is the InChIKey of [(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol?
The InChIKey is ABIBIDXEUBNWQC-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F2OS/c1-11-6(5-10)2-3-7(8,9)4-6/h10H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of [(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol?
[(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol has a molecular weight of 182.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol is sourced from PubChem (CID 167145267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).