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

C10H16F3NO3S — CID 83058258

IUPAC1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(S(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)4-1-7-18(16,17)14-5-2-9(8-15)3-6-14/h8-9H,1-7H2
InChIKeyPRDROIGVKHHCBS-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.57
Rot. Bonds5

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

1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde (PubChem CID 83058258) has the molecular formula C10H16F3NO3S and a molecular weight of 287.30 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde
PubChem CID83058258
Molecular FormulaC10H16F3NO3S
Molecular Weight287.30 g/mol
Exact Mass287.08
IUPAC Name1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(S(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO3S/c11-10(12,13)4-1-7-18(16,17)14-5-2-9(8-15)3-6-14/h8-9H,1-7H2
InChIKeyPRDROIGVKHHCBS-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3-Hexafluoro-3-(4-formylpiperidin-1-yl)sulfonylpropane-1-sulfonic acid
CID 57641981
1-[1-(2,2,2-Trifluoroethylsulfonyl)piperidin-4-yl]ethanone
CID 68302947
1,1,2,2,3,3-Hexafluoro-3-(4-formylpiperidin-1-yl)sulfonylpropane-1-sulfinic acid
CID 123274679
1-[1-(3,3,3-Trifluoropropylsulfonyl)piperidin-4-yl]ethanone
CID 162558863
3-Fluoro-1-methylsulfonylpiperidine-4-carbaldehyde
CID 175479281
1-(Trifluoromethylsulfonyl)piperidine-4-carbaldehyde
CID 63844861
1-(Difluoromethylsulfonyl)piperidine-4-carbaldehyde
CID 63845193
1-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-yl]ethanone
CID 83058081
1-(4,4,4-Trifluorobutylsulfonyl)piperidine-3-carbaldehyde
CID 83058405
1-(Cyclopropanesulfonyl)piperidine-4-carbaldehyde
CID 59235706
3-(4-Formylpiperidin-1-yl)propane-1-sulfonic acid
CID 89513033
1-Ethylsulfonylpiperidine-4-carbaldehyde
CID 28271541

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde (CID 83058258) is 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde is O=CC1CCN(S(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde?
The InChIKey is PRDROIGVKHHCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3S/c11-10(12,13)4-1-7-18(16,17)14-5-2-9(8-15)3-6-14/h8-9H,1-7H2.
What are the key properties of 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde?
1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde has a molecular weight of 287.30 g/mol, XLogP of 1.57, 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-4-carbaldehyde is sourced from PubChem (CID 83058258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).