1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde

C10H16F3NO3S — CID 83058257

IUPAC1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)5-3-7-18(16,17)14-6-2-1-4-9(14)8-15/h8-9H,1-7H2
InChIKeyLEICXENDXUUDMF-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.71
Rot. Bonds5

About 1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde

1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde (PubChem CID 83058257) has the molecular formula C10H16F3NO3S and a molecular weight of 287.30 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde
PubChem CID83058257
Molecular FormulaC10H16F3NO3S
Molecular Weight287.30 g/mol
Exact Mass287.08
IUPAC Name1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)5-3-7-18(16,17)14-6-2-1-4-9(14)8-15/h8-9H,1-7H2
InChIKeyLEICXENDXUUDMF-UHFFFAOYSA-N
XLogP1.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]ethanamine
CID 83059722
methyl (2R)-1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carboxylate
CID 83058935
N-[[1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 83047909
1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde
CID 83058258
1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol
CID 83059717
1-ethylsulfonylpyrrolidine-2-carbaldehyde
CID 55269064
1-methylsulfonylpiperidine-2-carbaldehyde
CID 63845011
1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanone
CID 83057913
2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
CID 83059283
(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
CID 107225039
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
CID 83059984
1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbaldehyde
CID 84665895

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde (CID 83058257) is 1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde is O=CC1CCCCN1S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde?
The InChIKey is LEICXENDXUUDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3S/c11-10(12,13)5-3-7-18(16,17)14-6-2-1-4-9(14)8-15/h8-9H,1-7H2.
What are the key properties of 1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde?
1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde has a molecular weight of 287.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 83058257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).