3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one

C10H13F6NO2 — CID 103310146

IUPAC3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N1CCCC(CO)C1
InChIInChI=1S/C10H13F6NO2/c11-9(12,13)7(10(14,15)16)8(19)17-3-1-2-6(4-17)5-18/h6-7,18H,1-5H2
InChIKeyGZPTWUQYPOAMKI-UHFFFAOYSA-N
MW293.21 g/mol
LogP1.96
Rot. Bonds2

About 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one (PubChem CID 103310146) has the molecular formula C10H13F6NO2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
PubChem CID103310146
Molecular FormulaC10H13F6NO2
Molecular Weight293.21 g/mol
Exact Mass293.09
IUPAC Name3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N1CCCC(CO)C1
InChIInChI=1S/C10H13F6NO2/c11-9(12,13)7(10(14,15)16)8(19)17-3-1-2-6(4-17)5-18/h6-7,18H,1-5H2
InChIKeyGZPTWUQYPOAMKI-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 51.96
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-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one (CID 103310146) is 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one is O=C(C(C(F)(F)F)C(F)(F)F)N1CCCC(CO)C1.
What is the InChIKey of 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one?
The InChIKey is GZPTWUQYPOAMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO2/c11-9(12,13)7(10(14,15)16)8(19)17-3-1-2-6(4-17)5-18/h6-7,18H,1-5H2.
What are the key properties of 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one has a molecular weight of 293.21 g/mol, XLogP of 1.96, 2 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-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103310146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).