1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone

C8H10F5NO2 — CID 46177337

IUPAC1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(CO)C(F)(F)C1)C(F)(F)F
InChIInChI=1S/C8H10F5NO2/c9-7(10)4-14(2-1-5(7)3-15)6(16)8(11,12)13/h5,15H,1-4H2
InChIKeyUISKKWSEFMIMPK-UHFFFAOYSA-N
MW247.16 g/mol
LogP1.02
Rot. Bonds1

About 1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 46177337) has the molecular formula C8H10F5NO2 and a molecular weight of 247.16 g/mol. Its IUPAC name is 1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID46177337
Molecular FormulaC8H10F5NO2
Molecular Weight247.16 g/mol
Exact Mass247.06
IUPAC Name1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(CO)C(F)(F)C1)C(F)(F)F
InChIInChI=1S/C8H10F5NO2/c9-7(10)4-14(2-1-5(7)3-15)6(16)8(11,12)13/h5,15H,1-4H2
InChIKeyUISKKWSEFMIMPK-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 46177337) is 1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone is O=C(N1CCC(CO)C(F)(F)C1)C(F)(F)F.
What is the InChIKey of 1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is UISKKWSEFMIMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO2/c9-7(10)4-14(2-1-5(7)3-15)6(16)8(11,12)13/h5,15H,1-4H2.
What are the key properties of 1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 247.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 46177337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).