2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine

C10H14F3N — CID 123371459

IUPAC2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCCCC1CC=CC(C(F)(F)F)=N1
InChIInChI=1S/C10H14F3N/c1-2-3-5-8-6-4-7-9(14-8)10(11,12)13/h4,7-8H,2-3,5-6H2,1H3
InChIKeyIDWDUDQJJJVEKQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.51
Rot. Bonds3

About 2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine

2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 123371459) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID123371459
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCCCC1CC=CC(C(F)(F)F)=N1
InChIInChI=1S/C10H14F3N/c1-2-3-5-8-6-4-7-9(14-8)10(11,12)13/h4,7-8H,2-3,5-6H2,1H3
InChIKeyIDWDUDQJJJVEKQ-UHFFFAOYSA-N
XLogP3.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine (CID 123371459) is 2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine is CCCCC1CC=CC(C(F)(F)F)=N1.
What is the InChIKey of 2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is IDWDUDQJJJVEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-2-3-5-8-6-4-7-9(14-8)10(11,12)13/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine?
2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 205.22 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 123371459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).