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

C8H12F3NO — CID 62654280

IUPAC1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-12-3-1-7(5-13)2-4-12/h5,7H,1-4,6H2
InChIKeyMAEXIOSVLWZGFB-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.46
Rot. Bonds2

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

1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde (PubChem CID 62654280) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde
PubChem CID62654280
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-12-3-1-7(5-13)2-4-12/h5,7H,1-4,6H2
InChIKeyMAEXIOSVLWZGFB-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpiperidine-4-carbaldehyde
CID 12535228
1-Ethylpiperidine-4-carbaldehyde
CID 20613249
1-(Trifluoroacetyl)piperidine-4-carbaldehyde
CID 45081042
1-(2,2-Dimethylpropyl)piperidine-4-carbaldehyde
CID 59337716
1-(2-Methylpropyl)piperidine-4-carbaldehyde
CID 62655908
1-(Cyclopropylmethyl)piperidine-4-carbaldehyde
CID 62656102
1-(Cyclobutylmethyl)piperidine-4-carbaldehyde
CID 65461855
2,2,2-Trifluoro-1-(1-methylpiperidin-4-yl)ethan-1-one
CID 57674782
1-(Difluoromethyl)piperidine-3-carbaldehyde
CID 62654021
1-(Difluoromethyl)piperidine-4-carbaldehyde
CID 62656642
1-(3,3,3-Trifluoropropyl)piperidine-4-carbaldehyde
CID 64566362
1-(2,2-Difluoropropyl)piperidine-4-carbaldehyde
CID 84663158

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde (CID 62654280) is 1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde is O=CC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde?
The InChIKey is MAEXIOSVLWZGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)6-12-3-1-7(5-13)2-4-12/h5,7H,1-4,6H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde?
1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde has a molecular weight of 195.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62654280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).