1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde

C8H12F3NO — CID 175417338

IUPAC1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1C(F)C(F)F
InChIInChI=1S/C8H12F3NO/c9-7(10)8(11)12-4-2-1-3-6(12)5-13/h5-8H,1-4H2
InChIKeyWQNJJGKIHDOHKJ-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.60
Rot. Bonds3

About 1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde

1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde (PubChem CID 175417338) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde
PubChem CID175417338
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1C(F)C(F)F
InChIInChI=1S/C8H12F3NO/c9-7(10)8(11)12-4-2-1-3-6(12)5-13/h5-8H,1-4H2
InChIKeyWQNJJGKIHDOHKJ-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde (CID 175417338) is 1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde is O=CC1CCCCN1C(F)C(F)F.
What is the InChIKey of 1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde?
The InChIKey is WQNJJGKIHDOHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-7(10)8(11)12-4-2-1-3-6(12)5-13/h5-8H,1-4H2.
What are the key properties of 1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde?
1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde has a molecular weight of 195.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 175417338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).