6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine

Name: 6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₈F₃N — CID 174904999

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine

SMILESCCCCC1=NCCC(c2ccccc2C(F)(F)F)=C1

InChIInChI=1S/C16H18F3N/c1-2-3-6-13-11-12(9-10-20-13)14-7-4-5-8-15(14)16(17,18)19/h4-5,7-8,11H,2-3,6,9-10H2,1H3

InChIKeyQYGPONBLRIBIRF-UHFFFAOYSA-N

MW281.32 g/mol

LogP5.12

Rot. Bonds4

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

6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine (PubChem CID 174904999) has the molecular formula C₁₆H₁₈F₃N and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name	6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine
PubChem CID	174904999
Molecular Formula	C₁₆H₁₈F₃N
Molecular Weight	281.32 g/mol
Exact Mass	281.14
IUPAC Name	6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine
SMILES	CCCCC1=NCCC(c2ccccc2C(F)(F)F)=C1
InChI	InChI=1S/C16H18F3N/c1-2-3-6-13-11-12(9-10-20-13)14-7-4-5-8-15(14)16(17,18)19/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKey	QYGPONBLRIBIRF-UHFFFAOYSA-N
XLogP	5.12
TPSA	12.36 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	281.32
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine?

The IUPAC name of 6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine (CID 174904999) is 6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine.

What is the SMILES notation for 6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine?

The canonical SMILES for 6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine is CCCCC1=NCCC(c2ccccc2C(F)(F)F)=C1.

What is the InChIKey of 6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine?

The InChIKey is QYGPONBLRIBIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N/c1-2-3-6-13-11-12(9-10-20-13)14-7-4-5-8-15(14)16(17,18)19/h4-5,7-8,11H,2-3,6,9-10H2,1H3.

What are the key properties of 6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine?

6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine has a molecular weight of 281.32 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine is sourced from PubChem (CID 174904999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 174904999 — identifiers, structure, computed properties (public domain)

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