[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol

C8H15F2NO — CID 138624277

IUPAC[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol
SMILESC[C@@H]1CC(F)(F)CN(C)[C@@H]1CO
InChIInChI=1S/C8H15F2NO/c1-6-3-8(9,10)5-11(2)7(6)4-12/h6-7,12H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyQJMGQXJXCAHSKR-RNFRBKRXSA-N
MW179.21 g/mol
LogP0.95
Rot. Bonds1

About [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol

[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol (PubChem CID 138624277) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol
PubChem CID138624277
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol
SMILESC[C@@H]1CC(F)(F)CN(C)[C@@H]1CO
InChIInChI=1S/C8H15F2NO/c1-6-3-8(9,10)5-11(2)7(6)4-12/h6-7,12H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyQJMGQXJXCAHSKR-RNFRBKRXSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol?
The IUPAC name of [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol (CID 138624277) is [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol is C[C@@H]1CC(F)(F)CN(C)[C@@H]1CO.
What is the InChIKey of [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol?
The InChIKey is QJMGQXJXCAHSKR-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-3-8(9,10)5-11(2)7(6)4-12/h6-7,12H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol?
[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol has a molecular weight of 179.21 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol is sourced from PubChem (CID 138624277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).