1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone

C9H13F4NO2 — CID 67402290

IUPAC1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(F)(C(O)C(F)(F)F)CC1
InChIInChI=1S/C9H13F4NO2/c1-6(15)14-4-2-8(10,3-5-14)7(16)9(11,12)13/h7,16H,2-5H2,1H3
InChIKeyXYCSDLFGZIARQA-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.26
Rot. Bonds1

About 1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone

1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 67402290) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID67402290
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(F)(C(O)C(F)(F)F)CC1
InChIInChI=1S/C9H13F4NO2/c1-6(15)14-4-2-8(10,3-5-14)7(16)9(11,12)13/h7,16H,2-5H2,1H3
InChIKeyXYCSDLFGZIARQA-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone (CID 67402290) is 1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(F)(C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is XYCSDLFGZIARQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO2/c1-6(15)14-4-2-8(10,3-5-14)7(16)9(11,12)13/h7,16H,2-5H2,1H3.
What are the key properties of 1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 243.20 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 67402290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).