3,3-difluoro-1-methylpiperidine-4,4-diol

C6H11F2NO2 — CID 169410012

IUPAC3,3-difluoro-1-methylpiperidine-4,4-diol
SMILESCN1CCC(O)(O)C(F)(F)C1
InChIInChI=1S/C6H11F2NO2/c1-9-3-2-6(10,11)5(7,8)4-9/h10-11H,2-4H2,1H3
InChIKeyHRFQLVWEMJXTSW-UHFFFAOYSA-N
MW167.15 g/mol
LogP-0.36
Rot. Bonds

About 3,3-difluoro-1-methylpiperidine-4,4-diol

3,3-difluoro-1-methylpiperidine-4,4-diol (PubChem CID 169410012) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpiperidine-4,4-diol.

Molecular Properties

Compound Name3,3-difluoro-1-methylpiperidine-4,4-diol
PubChem CID169410012
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name3,3-difluoro-1-methylpiperidine-4,4-diol
SMILESCN1CCC(O)(O)C(F)(F)C1
InChIInChI=1S/C6H11F2NO2/c1-9-3-2-6(10,11)5(7,8)4-9/h10-11H,2-4H2,1H3
InChIKeyHRFQLVWEMJXTSW-UHFFFAOYSA-N
XLogP-0.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455
ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide
CID 171516586
2,7-dimethyl-2,7-diazaspiro[3.4]octane;ethane
CID 143122018
(3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol
CID 124638982
3,3-difluoro-1-methylpyrrolidine;propane
CID 143065590
3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane
CID 170572077
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
3-methoxy-1-methylpyrrolidin-3-ol
CID 70383865
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
(3-amino-1-methylpyrrolidin-3-yl)methanol;ethane
CID 171517392

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylpiperidine-4,4-diol?
The IUPAC name of 3,3-difluoro-1-methylpiperidine-4,4-diol (CID 169410012) is 3,3-difluoro-1-methylpiperidine-4,4-diol.
What is the SMILES notation for 3,3-difluoro-1-methylpiperidine-4,4-diol?
The canonical SMILES for 3,3-difluoro-1-methylpiperidine-4,4-diol is CN1CCC(O)(O)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylpiperidine-4,4-diol?
The InChIKey is HRFQLVWEMJXTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-9-3-2-6(10,11)5(7,8)4-9/h10-11H,2-4H2,1H3.
What are the key properties of 3,3-difluoro-1-methylpiperidine-4,4-diol?
3,3-difluoro-1-methylpiperidine-4,4-diol has a molecular weight of 167.15 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylpiperidine-4,4-diol is sourced from PubChem (CID 169410012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).