2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone

C10H16F3NO — CID 91251285

IUPAC2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone
SMILESCCCN1CCCCC1C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-2-6-14-7-4-3-5-8(14)9(15)10(11,12)13/h8H,2-7H2,1H3
InChIKeyHHBBPGPIUHEOLZ-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.38
Rot. Bonds3

About 2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone

2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone (PubChem CID 91251285) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone
PubChem CID91251285
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone
SMILESCCCN1CCCCC1C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-2-6-14-7-4-3-5-8(14)9(15)10(11,12)13/h8H,2-7H2,1H3
InChIKeyHHBBPGPIUHEOLZ-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone (CID 91251285) is 2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone is CCCN1CCCCC1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone?
The InChIKey is HHBBPGPIUHEOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-2-6-14-7-4-3-5-8(14)9(15)10(11,12)13/h8H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone?
2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone has a molecular weight of 223.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-propylpiperidin-2-yl)ethanone is sourced from PubChem (CID 91251285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).