4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine

C14H18FN — CID 176586824

IUPAC4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)c1ccc(C2=CCNCC2)c(F)c1
InChIInChI=1S/C14H18FN/c1-10(2)12-3-4-13(14(15)9-12)11-5-7-16-8-6-11/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyIQYOFUFRPANTJW-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.33
Rot. Bonds2

About 4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine

4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 176586824) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine
PubChem CID176586824
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)c1ccc(C2=CCNCC2)c(F)c1
InChIInChI=1S/C14H18FN/c1-10(2)12-3-4-13(14(15)9-12)11-5-7-16-8-6-11/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyIQYOFUFRPANTJW-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine (CID 176586824) is 4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine is CC(C)c1ccc(C2=CCNCC2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is IQYOFUFRPANTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-10(2)12-3-4-13(14(15)9-12)11-5-7-16-8-6-11/h3-5,9-10,16H,6-8H2,1-2H3.
What are the key properties of 4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine?
4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 219.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 176586824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).