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

C7H8F3N — CID 142076330

IUPAC4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1=CC=NCC1C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-5-2-3-11-4-6(5)7(8,9)10/h2-3,6H,4H2,1H3
InChIKeyFTZFYENKTAYVAU-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.20
Rot. Bonds

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

4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 142076330) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID142076330
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1=CC=NCC1C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-5-2-3-11-4-6(5)7(8,9)10/h2-3,6H,4H2,1H3
InChIKeyFTZFYENKTAYVAU-UHFFFAOYSA-N
XLogP2.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine (CID 142076330) is 4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine is CC1=CC=NCC1C(F)(F)F.
What is the InChIKey of 4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is FTZFYENKTAYVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5-2-3-11-4-6(5)7(8,9)10/h2-3,6H,4H2,1H3.
What are the key properties of 4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine?
4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 163.14 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 142076330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).