4-(trifluoromethyl)-1,2-dihydropyridine

C6H6F3N — CID 18367699

IUPAC4-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CCNC=C1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-1-3-10-4-2-5/h1-3,10H,4H2
InChIKeyWQYHYHTWCNWJGM-UHFFFAOYSA-N
MW149.11 g/mol
LogP1.59
Rot. Bonds

About 4-(trifluoromethyl)-1,2-dihydropyridine

4-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 18367699) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID18367699
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name4-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CCNC=C1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-1-3-10-4-2-5/h1-3,10H,4H2
InChIKeyWQYHYHTWCNWJGM-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Trifluoromethyl)pyridine-2-thiol
CID 15896766
2-Trifluoromethyl-1,2-dihydroazine
CID 18539792
4-Methyl dihydropyridine
CID 407036
3-(Trifluoromethyl)-1,2-dihydropyridine
CID 18330446
4-Fluoro-1,2-dihydropyridine
CID 18523056
2,3-Difluoro-1,2-dihydropyridine
CID 18619801
2,4-Difluoro-1,2-dihydropyridine
CID 18619816
2-Fluoro-1,2-dihydropyridine
CID 18619817
2,6-Difluoro-1,2-dihydropyridine
CID 18619825
2,5-Difluoro-1,2-dihydropyridine
CID 18619827
5-(Trifluoromethyl)-1,2-dihydropyridine
CID 19363749
2-methylidene-4-(trifluoromethyl)-1H-pyridine
CID 57561963

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 4-(trifluoromethyl)-1,2-dihydropyridine (CID 18367699) is 4-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 4-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 4-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1=CCNC=C1.
What is the InChIKey of 4-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is WQYHYHTWCNWJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c7-6(8,9)5-1-3-10-4-2-5/h1-3,10H,4H2.
What are the key properties of 4-(trifluoromethyl)-1,2-dihydropyridine?
4-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 149.11 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 18367699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).