2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone

C8H13F2NO3 — CID 130681789

IUPAC2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(C(F)F)N1CCC(O)(CO)CC1
InChIInChI=1S/C8H13F2NO3/c9-6(10)7(13)11-3-1-8(14,5-12)2-4-11/h6,12,14H,1-5H2
InChIKeyPQIOOSUXZFOJFA-UHFFFAOYSA-N
MW209.19 g/mol
LogP-0.40
Rot. Bonds2

About 2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone

2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 130681789) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID130681789
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(C(F)F)N1CCC(O)(CO)CC1
InChIInChI=1S/C8H13F2NO3/c9-6(10)7(13)11-3-1-8(14,5-12)2-4-11/h6,12,14H,1-5H2
InChIKeyPQIOOSUXZFOJFA-UHFFFAOYSA-N
XLogP-0.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 164851654
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279
1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile
CID 131084206
2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone
CID 130590982
(E)-3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]prop-2-enoic acid
CID 131243856
2-[4-(2,2-difluoroacetyl)piperazin-1-yl]propanoic acid
CID 103513248
1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]but-2-yn-1-one
CID 130656011
4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid
CID 141414926
4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol
CID 130490728
1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 123601967
2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone
CID 131153900

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 130681789) is 2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(C(F)F)N1CCC(O)(CO)CC1.
What is the InChIKey of 2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is PQIOOSUXZFOJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c9-6(10)7(13)11-3-1-8(14,5-12)2-4-11/h6,12,14H,1-5H2.
What are the key properties of 2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone?
2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 209.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 130681789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).