1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol

C11H20F2N2O — CID 118303404

IUPAC1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol
SMILESCC(O)[C@H]1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C11H20F2N2O/c1-8(16)10-6-11(12,13)7-15(10)9-2-4-14-5-3-9/h8-10,14,16H,2-7H2,1H3/t8?,10-/m1/s1
InChIKeyZJYJXFDVTHOVCI-LHIURRSHSA-N
MW234.29 g/mol
LogP0.83
Rot. Bonds2

About 1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol

1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol (PubChem CID 118303404) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol
PubChem CID118303404
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol
SMILESCC(O)[C@H]1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C11H20F2N2O/c1-8(16)10-6-11(12,13)7-15(10)9-2-4-14-5-3-9/h8-10,14,16H,2-7H2,1H3/t8?,10-/m1/s1
InChIKeyZJYJXFDVTHOVCI-LHIURRSHSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol?
The IUPAC name of 1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol (CID 118303404) is 1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol is CC(O)[C@H]1CC(F)(F)CN1C1CCNCC1.
What is the InChIKey of 1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol?
The InChIKey is ZJYJXFDVTHOVCI-LHIURRSHSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-8(16)10-6-11(12,13)7-15(10)9-2-4-14-5-3-9/h8-10,14,16H,2-7H2,1H3/t8?,10-/m1/s1.
What are the key properties of 1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol?
1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol has a molecular weight of 234.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 118303404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).