2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone

C9H12F3NO — CID 142998132

IUPAC2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone
SMILESC=C1CCN(C(=O)C(F)(F)F)CC1C
InChIInChI=1S/C9H12F3NO/c1-6-3-4-13(5-7(6)2)8(14)9(10,11)12/h7H,1,3-5H2,2H3
InChIKeyZGVKWHWREUEYSO-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.97
Rot. Bonds

About 2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone (PubChem CID 142998132) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone
PubChem CID142998132
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone
SMILESC=C1CCN(C(=O)C(F)(F)F)CC1C
InChIInChI=1S/C9H12F3NO/c1-6-3-4-13(5-7(6)2)8(14)9(10,11)12/h7H,1,3-5H2,2H3
InChIKeyZGVKWHWREUEYSO-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone (CID 142998132) is 2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone is C=C1CCN(C(=O)C(F)(F)F)CC1C.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone?
The InChIKey is ZGVKWHWREUEYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-6-3-4-13(5-7(6)2)8(14)9(10,11)12/h7H,1,3-5H2,2H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone has a molecular weight of 207.19 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methyl-4-methylidenepiperidin-1-yl)ethanone is sourced from PubChem (CID 142998132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).