4-(trifluoromethyl)-2,3-dihydropyridine

C6H6F3N — CID 141152517

IUPAC4-(trifluoromethyl)-2,3-dihydropyridine
SMILESFC(F)(F)C1=CC=NCC1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-1-3-10-4-2-5/h1,3H,2,4H2
InChIKeyMQRGZQAKLYLHQW-UHFFFAOYSA-N
MW149.12 g/mol
LogP1.95
Rot. Bonds

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

4-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 141152517) has the molecular formula C6H6F3N and a molecular weight of 149.12 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID141152517
Molecular FormulaC6H6F3N
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name4-(trifluoromethyl)-2,3-dihydropyridine
SMILESFC(F)(F)C1=CC=NCC1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-1-3-10-4-2-5/h1,3H,2,4H2
InChIKeyMQRGZQAKLYLHQW-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
4-(trifluoromethyl)-3H-pyridin-1-ium
CID 57085904
5-(trifluoromethyl)-3H-pyridin-1-ium
CID 57189778
4-(2-fluoroethyl)-3H-pyridin-1-ium
CID 57261287
5-(Trifluoromethyl)-2,3-dihydropyridine
CID 68374416
2,3-difluoro-3-(trifluoromethyl)-2H-pyridine
CID 88634232
3,3-Difluoropyridine hydrochloride
CID 90015073
3,3-difluoro-2H-pyridine
CID 90015074
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
4-(Trifluoromethyl)-2,5-dihydropyridine
CID 91046941
5-(Fluoromethyl)-2,3-dihydropyridine
CID 91586343
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 4-(trifluoromethyl)-2,3-dihydropyridine (CID 141152517) is 4-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 4-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 4-(trifluoromethyl)-2,3-dihydropyridine is FC(F)(F)C1=CC=NCC1.
What is the InChIKey of 4-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is MQRGZQAKLYLHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c7-6(8,9)5-1-3-10-4-2-5/h1,3H,2,4H2.
What are the key properties of 4-(trifluoromethyl)-2,3-dihydropyridine?
4-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 149.12 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 141152517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).