2-(1,1,2-trifluoroethyl)piperidin-4-one

C7H10F3NO — CID 69129130

IUPAC2-(1,1,2-trifluoroethyl)piperidin-4-one
SMILESO=C1CCNC(C(F)(F)CF)C1
InChIInChI=1S/C7H10F3NO/c8-4-7(9,10)6-3-5(12)1-2-11-6/h6,11H,1-4H2
InChIKeyZYMSSABQVBYCMB-UHFFFAOYSA-N
MW181.16 g/mol
LogP0.91
Rot. Bonds2

About 2-(1,1,2-trifluoroethyl)piperidin-4-one

2-(1,1,2-trifluoroethyl)piperidin-4-one (PubChem CID 69129130) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-(1,1,2-trifluoroethyl)piperidin-4-one.

Molecular Properties

Compound Name2-(1,1,2-trifluoroethyl)piperidin-4-one
PubChem CID69129130
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2-(1,1,2-trifluoroethyl)piperidin-4-one
SMILESO=C1CCNC(C(F)(F)CF)C1
InChIInChI=1S/C7H10F3NO/c8-4-7(9,10)6-3-5(12)1-2-11-6/h6,11H,1-4H2
InChIKeyZYMSSABQVBYCMB-UHFFFAOYSA-N
XLogP0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2-trifluoroethyl)piperidin-4-one?
The IUPAC name of 2-(1,1,2-trifluoroethyl)piperidin-4-one (CID 69129130) is 2-(1,1,2-trifluoroethyl)piperidin-4-one.
What is the SMILES notation for 2-(1,1,2-trifluoroethyl)piperidin-4-one?
The canonical SMILES for 2-(1,1,2-trifluoroethyl)piperidin-4-one is O=C1CCNC(C(F)(F)CF)C1.
What is the InChIKey of 2-(1,1,2-trifluoroethyl)piperidin-4-one?
The InChIKey is ZYMSSABQVBYCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-4-7(9,10)6-3-5(12)1-2-11-6/h6,11H,1-4H2.
What are the key properties of 2-(1,1,2-trifluoroethyl)piperidin-4-one?
2-(1,1,2-trifluoroethyl)piperidin-4-one has a molecular weight of 181.16 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-trifluoroethyl)piperidin-4-one is sourced from PubChem (CID 69129130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).