6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one

C15H21F4NO2 — CID 90892743

IUPAC6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one
SMILESO=C(CN1C(=O)CCCC1CF)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H21F4NO2/c16-8-12-2-1-3-14(22)20(12)9-13(21)10-4-6-11(7-5-10)15(17,18)19/h10-12H,1-9H2
InChIKeyKBZXUXQACZVJMX-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.27
Rot. Bonds4

About 6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one

6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one (PubChem CID 90892743) has the molecular formula C15H21F4NO2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one
PubChem CID90892743
Molecular FormulaC15H21F4NO2
Molecular Weight323.33 g/mol
Exact Mass323.15
IUPAC Name6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one
SMILESO=C(CN1C(=O)CCCC1CF)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H21F4NO2/c16-8-12-2-1-3-14(22)20(12)9-13(21)10-4-6-11(7-5-10)15(17,18)19/h10-12H,1-9H2
InChIKeyKBZXUXQACZVJMX-UHFFFAOYSA-N
XLogP3.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one?
The IUPAC name of 6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one (CID 90892743) is 6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one.
What is the SMILES notation for 6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one?
The canonical SMILES for 6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one is O=C(CN1C(=O)CCCC1CF)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one?
The InChIKey is KBZXUXQACZVJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4NO2/c16-8-12-2-1-3-14(22)20(12)9-13(21)10-4-6-11(7-5-10)15(17,18)19/h10-12H,1-9H2.
What are the key properties of 6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one?
6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one has a molecular weight of 323.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one is sourced from PubChem (CID 90892743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).