2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one

C9H15F2NO2 — CID 130649483

IUPAC2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESCC(F)(F)C(=O)N1CCCCC1CO
InChIInChI=1S/C9H15F2NO2/c1-9(10,11)8(14)12-5-3-2-4-7(12)6-13/h7,13H,2-6H2,1H3
InChIKeyQVJKLDYOBIQXBM-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.01
Rot. Bonds2

About 2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one

2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 130649483) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID130649483
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESCC(F)(F)C(=O)N1CCCCC1CO
InChIInChI=1S/C9H15F2NO2/c1-9(10,11)8(14)12-5-3-2-4-7(12)6-13/h7,13H,2-6H2,1H3
InChIKeyQVJKLDYOBIQXBM-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 130649483) is 2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one is CC(F)(F)C(=O)N1CCCCC1CO.
What is the InChIKey of 2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is QVJKLDYOBIQXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-9(10,11)8(14)12-5-3-2-4-7(12)6-13/h7,13H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 207.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 130649483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).