1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C12H18F3NO2 — CID 104750885

IUPAC1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(C(F)(F)F)C1)C1CCOC1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)10-2-1-4-16(6-10)7-11(17)9-3-5-18-8-9/h9-10H,1-8H2
InChIKeyTXNJDMQDUHHDGP-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.87
Rot. Bonds3

About 1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone

1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 104750885) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID104750885
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(C(F)(F)F)C1)C1CCOC1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)10-2-1-4-16(6-10)7-11(17)9-3-5-18-8-9/h9-10H,1-8H2
InChIKeyTXNJDMQDUHHDGP-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 104750885) is 1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCCC(C(F)(F)F)C1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is TXNJDMQDUHHDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)10-2-1-4-16(6-10)7-11(17)9-3-5-18-8-9/h9-10H,1-8H2.
What are the key properties of 1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 265.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 104750885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).