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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Related Compounds

3,4-Dimethyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2,5-dihydropyridine
CID 11113552
4-Fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine
CID 90846019
6-Ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine
CID 91588124
4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine
CID 123180150
6-(1,1-Difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine
CID 123923241
4-Methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123942790
5-(1,1-Difluoroethyl)-2-propyl-2,3-dihydropyridine
CID 135197188
6-(Difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 139526386
(Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 142438884
(E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine
CID 142448493
4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 167255590
(E)-4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hept-3-en-2-imine
CID 167255730

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).