6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine

C10H14F3N — CID 174904968

IUPAC6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCCCC1=NCCC(C(F)(F)F)=C1
InChIInChI=1S/C10H14F3N/c1-2-3-4-9-7-8(5-6-14-9)10(11,12)13/h7H,2-6H2,1H3
InChIKeyJCQAXZLGYDLZMM-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.51
Rot. Bonds3

About 6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine

6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 174904968) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID174904968
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCCCC1=NCCC(C(F)(F)F)=C1
InChIInChI=1S/C10H14F3N/c1-2-3-4-9-7-8(5-6-14-9)10(11,12)13/h7H,2-6H2,1H3
InChIKeyJCQAXZLGYDLZMM-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 6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine (CID 174904968) is 6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine is CCCCC1=NCCC(C(F)(F)F)=C1.
What is the InChIKey of 6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is JCQAXZLGYDLZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-2-3-4-9-7-8(5-6-14-9)10(11,12)13/h7H,2-6H2,1H3.
What are the key properties of 6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine?
6-butyl-4-(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 6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 174904968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).