(2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde

C7H10F3NO — CID 118902444

IUPAC(2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde
SMILESO=C[C@H]1CCN[C@@H](C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h4-6,11H,1-3H2/t5-,6+/m0/s1
InChIKeyQHKWMYMFPOXEDW-NTSWFWBYSA-N
MW181.16 g/mol
LogP1.12
Rot. Bonds1

About (2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde

(2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde (PubChem CID 118902444) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name(2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde
PubChem CID118902444
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde
SMILESO=C[C@H]1CCN[C@@H](C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h4-6,11H,1-3H2/t5-,6+/m0/s1
InChIKeyQHKWMYMFPOXEDW-NTSWFWBYSA-N
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
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 (2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde?
The IUPAC name of (2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde (CID 118902444) is (2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for (2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde?
The canonical SMILES for (2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde is O=C[C@H]1CCN[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde?
The InChIKey is QHKWMYMFPOXEDW-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h4-6,11H,1-3H2/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde?
(2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde has a molecular weight of 181.16 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 118902444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).