4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine

C10H14F3N — CID 123942790

IUPAC4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCCC1CC(C)=CC(C(F)(F)F)=N1
InChIInChI=1S/C10H14F3N/c1-3-4-8-5-7(2)6-9(14-8)10(11,12)13/h6,8H,3-5H2,1-2H3
InChIKeyHZTNYQOFRSCMSA-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.51
Rot. Bonds2

About 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine

4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 123942790) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID123942790
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCCC1CC(C)=CC(C(F)(F)F)=N1
InChIInChI=1S/C10H14F3N/c1-3-4-8-5-7(2)6-9(14-8)10(11,12)13/h6,8H,3-5H2,1-2H3
InChIKeyHZTNYQOFRSCMSA-UHFFFAOYSA-N
XLogP3.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine (CID 123942790) is 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine is CCCC1CC(C)=CC(C(F)(F)F)=N1.
What is the InChIKey of 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is HZTNYQOFRSCMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-3-4-8-5-7(2)6-9(14-8)10(11,12)13/h6,8H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine?
4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 205.22 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 123942790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).