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

C10H16F3NO — CID 115518190

IUPAC1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CCCC(F)(F)F
InChIInChI=1S/C10H16F3NO/c11-10(12,13)5-3-7-14-6-2-1-4-9(14)8-15/h8-9H,1-7H2
InChIKeyFFINXGUSJAMSLI-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.38
Rot. Bonds4

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

1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde (PubChem CID 115518190) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde
PubChem CID115518190
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CCCC(F)(F)F
InChIInChI=1S/C10H16F3NO/c11-10(12,13)5-3-7-14-6-2-1-4-9(14)8-15/h8-9H,1-7H2
InChIKeyFFINXGUSJAMSLI-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

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-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde (CID 115518190) is 1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde is O=CC1CCCCN1CCCC(F)(F)F.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde?
The InChIKey is FFINXGUSJAMSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)5-3-7-14-6-2-1-4-9(14)8-15/h8-9H,1-7H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde?
1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde has a molecular weight of 223.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 115518190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).