1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone

C11H18F3NO — CID 115513976

IUPAC1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CCCC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-9(16)10-5-2-3-7-15(10)8-4-6-11(12,13)14/h10H,2-8H2,1H3
InChIKeyHCGNDYNGXLCGKL-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.77
Rot. Bonds4

About 1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone

1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone (PubChem CID 115513976) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone
PubChem CID115513976
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CCCC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-9(16)10-5-2-3-7-15(10)8-4-6-11(12,13)14/h10H,2-8H2,1H3
InChIKeyHCGNDYNGXLCGKL-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluoropropyl)piperidin-2-yl]ethanone
CID 81105928
1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone
CID 63844463
N'-hydroxy-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboximidamide
CID 115514096
1-(4,4-dimethylpentyl)azocane-2-carboxylic acid
CID 114239890
3-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]propanoic acid
CID 113326572
1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone
CID 63844987
1-(1-pent-3-ynylpiperidin-2-yl)ethanone
CID 104807764
1-[(2S)-1-but-3-ynylpyrrolidin-2-yl]ethanone
CID 175636664
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid
CID 116536169
2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one
CID 115513982

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone (CID 115513976) is 1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1CCCC(F)(F)F.
What is the InChIKey of 1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone?
The InChIKey is HCGNDYNGXLCGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-9(16)10-5-2-3-7-15(10)8-4-6-11(12,13)14/h10H,2-8H2,1H3.
What are the key properties of 1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone?
1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone has a molecular weight of 237.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 115513976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).