4,4-difluoro-1-methylpiperidine;ethane;ethanol

C10H23F2NO — CID 166533902

IUPAC4,4-difluoro-1-methylpiperidine;ethane;ethanol
SMILESCC.CCO.CN1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2N.C2H6O.C2H6/c1-9-4-2-6(7,8)3-5-9;1-2-3;1-2/h2-5H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyVFCUOQROYBUGDZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.37
Rot. Bonds

About 4,4-difluoro-1-methylpiperidine;ethane;ethanol

4,4-difluoro-1-methylpiperidine;ethane;ethanol (PubChem CID 166533902) has the molecular formula C10H23F2NO and a molecular weight of 211.30 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpiperidine;ethane;ethanol.

Molecular Properties

Compound Name4,4-difluoro-1-methylpiperidine;ethane;ethanol
PubChem CID166533902
Molecular FormulaC10H23F2NO
Molecular Weight211.30 g/mol
Exact Mass211.17
IUPAC Name4,4-difluoro-1-methylpiperidine;ethane;ethanol
SMILESCC.CCO.CN1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2N.C2H6O.C2H6/c1-9-4-2-6(7,8)3-5-9;1-2-3;1-2/h2-5H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyVFCUOQROYBUGDZ-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-1-methylpiperidine;2-ethoxypropane
CID 168995938
(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
3,3-difluoro-1-methylpyrrolidine;propane
CID 143065590
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
[4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol
CID 84767868
4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine
CID 134373431
4-butyl-1-methylpiperidin-4-ol;ethane
CID 171492369
[4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol
CID 84772749
4,4-difluoro-1-heptylpiperidine
CID 138507375
3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane
CID 156707007
7,7-difluoro-4-methyl-4-azaspiro[2.6]nonane
CID 176557098
[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methanol
CID 146250684

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylpiperidine;ethane;ethanol?
The IUPAC name of 4,4-difluoro-1-methylpiperidine;ethane;ethanol (CID 166533902) is 4,4-difluoro-1-methylpiperidine;ethane;ethanol.
What is the SMILES notation for 4,4-difluoro-1-methylpiperidine;ethane;ethanol?
The canonical SMILES for 4,4-difluoro-1-methylpiperidine;ethane;ethanol is CC.CCO.CN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-methylpiperidine;ethane;ethanol?
The InChIKey is VFCUOQROYBUGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.C2H6O.C2H6/c1-9-4-2-6(7,8)3-5-9;1-2-3;1-2/h2-5H2,1H3;3H,2H2,1H3;1-2H3.
What are the key properties of 4,4-difluoro-1-methylpiperidine;ethane;ethanol?
4,4-difluoro-1-methylpiperidine;ethane;ethanol has a molecular weight of 211.30 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylpiperidine;ethane;ethanol is sourced from PubChem (CID 166533902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).