2-(trifluoromethyl)piperidine-1-carbaldehyde

C7H10F3NO — CID 87726119

IUPAC2-(trifluoromethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1C(F)(F)F
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6-3-1-2-4-11(6)5-12/h5-6H,1-4H2
InChIKeyAXIHJSFTPSGKNG-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.56
Rot. Bonds1

About 2-(trifluoromethyl)piperidine-1-carbaldehyde

2-(trifluoromethyl)piperidine-1-carbaldehyde (PubChem CID 87726119) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-(trifluoromethyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(trifluoromethyl)piperidine-1-carbaldehyde
PubChem CID87726119
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2-(trifluoromethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1C(F)(F)F
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6-3-1-2-4-11(6)5-12/h5-6H,1-4H2
InChIKeyAXIHJSFTPSGKNG-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Trifluoromethyl)piperidine-1-carbonyl chloride
CID 138684402
2-Methylpiperidine-1-carbaldehyde
CID 13260923
4,4-Difluoropiperidin-1-ylmethanone
CID 57455263
4-Fluoropiperidine-1-carbaldehyde
CID 57455264
3,3-Difluoropiperidine-1-carbaldehyde
CID 87513186
2,3-Difluoropiperidine-1-carbaldehyde
CID 87612014
2-Fluoropiperidine-1-carbaldehyde
CID 87612053
N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide
CID 87617531
(3S)-3-fluoropiperidine-1-carbaldehyde
CID 129270827
1-Piperidinecarboxaldehyde, 3-fluoro-
CID 142584449
(2R,6S)-2-fluoro-6-methylpiperidine-1-carbaldehyde
CID 173833604
3,3,4,4,5,5-Hexafluoropiperidine-1-carbaldehyde
CID 174048692

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)piperidine-1-carbaldehyde?
The IUPAC name of 2-(trifluoromethyl)piperidine-1-carbaldehyde (CID 87726119) is 2-(trifluoromethyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 2-(trifluoromethyl)piperidine-1-carbaldehyde?
The canonical SMILES for 2-(trifluoromethyl)piperidine-1-carbaldehyde is O=CN1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)piperidine-1-carbaldehyde?
The InChIKey is AXIHJSFTPSGKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)6-3-1-2-4-11(6)5-12/h5-6H,1-4H2.
What are the key properties of 2-(trifluoromethyl)piperidine-1-carbaldehyde?
2-(trifluoromethyl)piperidine-1-carbaldehyde has a molecular weight of 181.16 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 87726119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).