4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde

C7H8F3NO — CID 114490818

IUPAC4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESO=CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)6-1-3-11(5-12)4-2-6/h1,5H,2-4H2
InChIKeyUTBUZAHPGWPSEX-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.34
Rot. Bonds1

About 4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde

4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 114490818) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID114490818
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESO=CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)6-1-3-11(5-12)4-2-6/h1,5H,2-4H2
InChIKeyUTBUZAHPGWPSEX-UHFFFAOYSA-N
XLogP1.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of 4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde (CID 114490818) is 4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde is O=CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is UTBUZAHPGWPSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)6-1-3-11(5-12)4-2-6/h1,5H,2-4H2.
What are the key properties of 4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde?
4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 179.14 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 114490818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).