1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone

C7H8F5NO2 — CID 46177344

IUPAC1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(O)C(F)(F)C1)C(F)(F)F
InChIInChI=1S/C7H8F5NO2/c8-6(9)3-13(2-1-4(6)14)5(15)7(10,11)12/h4,14H,1-3H2
InChIKeyCJZKRTILVHXWOM-UHFFFAOYSA-N
MW233.14 g/mol
LogP0.78
Rot. Bonds

About 1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone

1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 46177344) has the molecular formula C7H8F5NO2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID46177344
Molecular FormulaC7H8F5NO2
Molecular Weight233.14 g/mol
Exact Mass233.05
IUPAC Name1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(O)C(F)(F)C1)C(F)(F)F
InChIInChI=1S/C7H8F5NO2/c8-6(9)3-13(2-1-4(6)14)5(15)7(10,11)12/h4,14H,1-3H2
InChIKeyCJZKRTILVHXWOM-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 50.78
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-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone (CID 46177344) is 1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone is O=C(N1CCC(O)C(F)(F)C1)C(F)(F)F.
What is the InChIKey of 1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is CJZKRTILVHXWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO2/c8-6(9)3-13(2-1-4(6)14)5(15)7(10,11)12/h4,14H,1-3H2.
What are the key properties of 1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(3,3-difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 233.14 g/mol, XLogP of 0.78, 0 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-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 46177344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).