3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

C13H22F3NO — CID 155469693

IUPAC3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)C(C)(C)C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-9(2)10-5-7-17(8-6-10)11(18)12(3,4)13(14,15)16/h9-10H,5-8H2,1-4H3
InChIKeyWPOHEGZZMWDPFM-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.47
Rot. Bonds2

About 3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 155469693) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID155469693
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)C(C)(C)C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-9(2)10-5-7-17(8-6-10)11(18)12(3,4)13(14,15)16/h9-10H,5-8H2,1-4H3
InChIKeyWPOHEGZZMWDPFM-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (CID 155469693) is 3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is CC(C)C1CCN(C(=O)C(C)(C)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is WPOHEGZZMWDPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-9(2)10-5-7-17(8-6-10)11(18)12(3,4)13(14,15)16/h9-10H,5-8H2,1-4H3.
What are the key properties of 3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 265.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 155469693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).