1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde

C7H10F3NO3S — CID 63844861

IUPAC1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO3S/c8-7(9,10)15(13,14)11-3-1-6(5-12)2-4-11/h5-6H,1-4H2
InChIKeyFSNQKEIMINIBGI-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.75
Rot. Bonds2

About 1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde

1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde (PubChem CID 63844861) has the molecular formula C7H10F3NO3S and a molecular weight of 245.22 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde
PubChem CID63844861
Molecular FormulaC7H10F3NO3S
Molecular Weight245.22 g/mol
Exact Mass245.03
IUPAC Name1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO3S/c8-7(9,10)15(13,14)11-3-1-6(5-12)2-4-11/h5-6H,1-4H2
InChIKeyFSNQKEIMINIBGI-UHFFFAOYSA-N
XLogP0.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde (CID 63844861) is 1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde is O=CC1CCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde?
The InChIKey is FSNQKEIMINIBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3S/c8-7(9,10)15(13,14)11-3-1-6(5-12)2-4-11/h5-6H,1-4H2.
What are the key properties of 1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde?
1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde has a molecular weight of 245.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 63844861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).