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

C8H13F2NO2 — CID 75631370

IUPAC5-(2,2-difluorocyclopropyl)piperidine-3,4-diol
SMILESOC1CNCC(C2CC2(F)F)C1O
InChIInChI=1S/C8H13F2NO2/c9-8(10)1-5(8)4-2-11-3-6(12)7(4)13/h4-7,11-13H,1-3H2
InChIKeySAZAQGIPHUWFOW-UHFFFAOYSA-N
MW193.19 g/mol
LogP-0.42
Rot. Bonds1

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

5-(2,2-difluorocyclopropyl)piperidine-3,4-diol (PubChem CID 75631370) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 5-(2,2-difluorocyclopropyl)piperidine-3,4-diol.

Molecular Properties

Compound Name5-(2,2-difluorocyclopropyl)piperidine-3,4-diol
PubChem CID75631370
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name5-(2,2-difluorocyclopropyl)piperidine-3,4-diol
SMILESOC1CNCC(C2CC2(F)F)C1O
InChIInChI=1S/C8H13F2NO2/c9-8(10)1-5(8)4-2-11-3-6(12)7(4)13/h4-7,11-13H,1-3H2
InChIKeySAZAQGIPHUWFOW-UHFFFAOYSA-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 5-(2,2-difluorocyclopropyl)piperidine-3,4-diol?
The IUPAC name of 5-(2,2-difluorocyclopropyl)piperidine-3,4-diol (CID 75631370) is 5-(2,2-difluorocyclopropyl)piperidine-3,4-diol.
What is the SMILES notation for 5-(2,2-difluorocyclopropyl)piperidine-3,4-diol?
The canonical SMILES for 5-(2,2-difluorocyclopropyl)piperidine-3,4-diol is OC1CNCC(C2CC2(F)F)C1O.
What is the InChIKey of 5-(2,2-difluorocyclopropyl)piperidine-3,4-diol?
The InChIKey is SAZAQGIPHUWFOW-UHFFFAOYSA-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.
What are the key properties of 5-(2,2-difluorocyclopropyl)piperidine-3,4-diol?
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 5-(2,2-difluorocyclopropyl)piperidine-3,4-diol is sourced from PubChem (CID 75631370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).