(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol

C8H13F2NO2 — CID 52913923

IUPAC(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol
SMILESO[C@H]1[C@H](O)CNC[C@@H]1C1CC1(F)F
InChIInChI=1S/C8H13F2NO2/c9-8(10)1-5(8)4-2-11-3-6(12)7(4)13/h4-7,11-13H,1-3H2/t4-,5?,6-,7-/m1/s1
InChIKeySAZAQGIPHUWFOW-GFEXSSHISA-N
MW193.19 g/mol
LogP-0.42
Rot. Bonds1

About (3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol

(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol (PubChem CID 52913923) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is (3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol
PubChem CID52913923
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol
SMILESO[C@H]1[C@H](O)CNC[C@@H]1C1CC1(F)F
InChIInChI=1S/C8H13F2NO2/c9-8(10)1-5(8)4-2-11-3-6(12)7(4)13/h4-7,11-13H,1-3H2/t4-,5?,6-,7-/m1/s1
InChIKeySAZAQGIPHUWFOW-GFEXSSHISA-N
XLogP-0.42
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol (CID 52913923) is (3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol is O[C@H]1[C@H](O)CNC[C@@H]1C1CC1(F)F.
What is the InChIKey of (3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol?
The InChIKey is SAZAQGIPHUWFOW-GFEXSSHISA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10)1-5(8)4-2-11-3-6(12)7(4)13/h4-7,11-13H,1-3H2/t4-,5?,6-,7-/m1/s1.
What are the key properties of (3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol?
(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol has a molecular weight of 193.19 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol is sourced from PubChem (CID 52913923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).