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4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride

C12H12ClF4N — CID 118483521

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.Fc1ccc(C(F)(F)F)c(C2=CCNCC2)c1
InChIInChI=1S/C12H11F4N.ClH/c13-9-1-2-11(12(14,15)16)10(7-9)8-3-5-17-6-4-8;/h1-3,7,17H,4-6H2;1H
InChIKeyQAQTXAXHROUVKC-UHFFFAOYSA-N
MW281.68 g/mol
LogP3.64
Rot. Bonds1

About 4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride

4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 118483521) has the molecular formula C12H12ClF4N and a molecular weight of 281.68 g/mol. Its IUPAC name is 4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID118483521
Molecular FormulaC12H12ClF4N
Molecular Weight281.68 g/mol
Exact Mass281.06
IUPAC Name4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.Fc1ccc(C(F)(F)F)c(C2=CCNCC2)c1
InChIInChI=1S/C12H11F4N.ClH/c13-9-1-2-11(12(14,15)16)10(7-9)8-3-5-17-6-4-8;/h1-3,7,17H,4-6H2;1H
InChIKeyQAQTXAXHROUVKC-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.68
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride (CID 118483521) is 4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride is Cl.Fc1ccc(C(F)(F)F)c(C2=CCNCC2)c1.
What is the InChIKey of 4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is QAQTXAXHROUVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N.ClH/c13-9-1-2-11(12(14,15)16)10(7-9)8-3-5-17-6-4-8;/h1-3,7,17H,4-6H2;1H.
What are the key properties of 4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 281.68 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 118483521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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