(3S)-4,4-difluoropiperidin-3-ol

C5H9F2NO — CID 90284915

IUPAC(3S)-4,4-difluoropiperidin-3-ol
SMILESO[C@H]1CNCCC1(F)F
InChIInChI=1S/C5H9F2NO/c6-5(7)1-2-8-3-4(5)9/h4,8-9H,1-3H2/t4-/m0/s1
InChIKeyWCNZGFYSIIPMMR-BYPYZUCNSA-N
MW137.13 g/mol
LogP-0.02
Rot. Bonds

About (3S)-4,4-difluoropiperidin-3-ol

(3S)-4,4-difluoropiperidin-3-ol (PubChem CID 90284915) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is (3S)-4,4-difluoropiperidin-3-ol.

Molecular Properties

Compound Name(3S)-4,4-difluoropiperidin-3-ol
PubChem CID90284915
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name(3S)-4,4-difluoropiperidin-3-ol
SMILESO[C@H]1CNCCC1(F)F
InChIInChI=1S/C5H9F2NO/c6-5(7)1-2-8-3-4(5)9/h4,8-9H,1-3H2/t4-/m0/s1
InChIKeyWCNZGFYSIIPMMR-BYPYZUCNSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-4,4-difluoropiperidin-3-ol?
The IUPAC name of (3S)-4,4-difluoropiperidin-3-ol (CID 90284915) is (3S)-4,4-difluoropiperidin-3-ol.
What is the SMILES notation for (3S)-4,4-difluoropiperidin-3-ol?
The canonical SMILES for (3S)-4,4-difluoropiperidin-3-ol is O[C@H]1CNCCC1(F)F.
What is the InChIKey of (3S)-4,4-difluoropiperidin-3-ol?
The InChIKey is WCNZGFYSIIPMMR-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)1-2-8-3-4(5)9/h4,8-9H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-4,4-difluoropiperidin-3-ol?
(3S)-4,4-difluoropiperidin-3-ol has a molecular weight of 137.13 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4-difluoropiperidin-3-ol is sourced from PubChem (CID 90284915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).