3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one

C9H11F6NO2 — CID 103310142

IUPAC3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N1CCCC(O)C1
InChIInChI=1S/C9H11F6NO2/c10-8(11,12)6(9(13,14)15)7(18)16-3-1-2-5(17)4-16/h5-6,17H,1-4H2
InChIKeyMZOQKOVTVYMZEE-UHFFFAOYSA-N
MW279.18 g/mol
LogP1.71
Rot. Bonds1

About 3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one (PubChem CID 103310142) has the molecular formula C9H11F6NO2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one
PubChem CID103310142
Molecular FormulaC9H11F6NO2
Molecular Weight279.18 g/mol
Exact Mass279.07
IUPAC Name3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N1CCCC(O)C1
InChIInChI=1S/C9H11F6NO2/c10-8(11,12)6(9(13,14)15)7(18)16-3-1-2-5(17)4-16/h5-6,17H,1-4H2
InChIKeyMZOQKOVTVYMZEE-UHFFFAOYSA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one (CID 103310142) is 3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one is O=C(C(C(F)(F)F)C(F)(F)F)N1CCCC(O)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one?
The InChIKey is MZOQKOVTVYMZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6NO2/c10-8(11,12)6(9(13,14)15)7(18)16-3-1-2-5(17)4-16/h5-6,17H,1-4H2.
What are the key properties of 3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one has a molecular weight of 279.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-hydroxypiperidin-1-yl)-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103310142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).