2-(trifluoromethyl)-3,4-dihydropyridine

C6H6F3N — CID 118501196

IUPAC2-(trifluoromethyl)-3,4-dihydropyridine
SMILESFC(F)(F)C1=NC=CCC1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-3-1-2-4-10-5/h2,4H,1,3H2
InChIKeyRXTDNDHXWHZJER-UHFFFAOYSA-N
MW149.12 g/mol
LogP2.30
Rot. Bonds

About 2-(trifluoromethyl)-3,4-dihydropyridine

2-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 118501196) has the molecular formula C6H6F3N and a molecular weight of 149.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID118501196
Molecular FormulaC6H6F3N
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name2-(trifluoromethyl)-3,4-dihydropyridine
SMILESFC(F)(F)C1=NC=CCC1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-3-1-2-4-10-5/h2,4H,1,3H2
InChIKeyRXTDNDHXWHZJER-UHFFFAOYSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2-(trifluoromethyl)-3,4-dihydropyridine (CID 118501196) is 2-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-(trifluoromethyl)-3,4-dihydropyridine is FC(F)(F)C1=NC=CCC1.
What is the InChIKey of 2-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is RXTDNDHXWHZJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c7-6(8,9)5-3-1-2-4-10-5/h2,4H,1,3H2.
What are the key properties of 2-(trifluoromethyl)-3,4-dihydropyridine?
2-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 149.12 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 118501196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).