4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine

C10H13F4N — CID 91406813

IUPAC4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCCC1CC(F)=C(C)C(C(F)(F)F)=N1
InChIInChI=1S/C10H13F4N/c1-3-4-7-5-8(11)6(2)9(15-7)10(12,13)14/h7H,3-5H2,1-2H3
InChIKeyJFHAJAOVKXHKNH-UHFFFAOYSA-N
MW223.21 g/mol
LogP3.81
Rot. Bonds2

About 4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine

4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 91406813) has the molecular formula C10H13F4N and a molecular weight of 223.21 g/mol. Its IUPAC name is 4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID91406813
Molecular FormulaC10H13F4N
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCCC1CC(F)=C(C)C(C(F)(F)F)=N1
InChIInChI=1S/C10H13F4N/c1-3-4-7-5-8(11)6(2)9(15-7)10(12,13)14/h7H,3-5H2,1-2H3
InChIKeyJFHAJAOVKXHKNH-UHFFFAOYSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine (CID 91406813) is 4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine is CCCC1CC(F)=C(C)C(C(F)(F)F)=N1.
What is the InChIKey of 4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is JFHAJAOVKXHKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N/c1-3-4-7-5-8(11)6(2)9(15-7)10(12,13)14/h7H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine?
4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 223.21 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 91406813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).