4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine

C11H12FN — CID 15047262

IUPAC4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine
SMILESFc1ccccc1C1=CCNCC1
InChIInChI=1S/C11H12FN/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-5,13H,6-8H2
InChIKeyHIZOTHLNNPXFHY-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.20
Rot. Bonds1

About 4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine

4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 15047262) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine
PubChem CID15047262
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine
SMILESFc1ccccc1C1=CCNCC1
InChIInChI=1S/C11H12FN/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-5,13H,6-8H2
InChIKeyHIZOTHLNNPXFHY-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phenethylamine
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Methamphetamine
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1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
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Levmetamfetamine
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(+)-Methamphetamine hydrochloride
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N-Methylbenzeneethanamine
CID 11503
N-Benzylphenethylamine
CID 65055
3-Phenylpropylamine
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4-Benzylpiperidine
CID 31738
(1-Phenylpropan-2-yl)(prop-2-yn-1-yl)amine
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N-Ethylamphetamine
CID 9982
Phenpromethamine
CID 22276

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine (CID 15047262) is 4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine is Fc1ccccc1C1=CCNCC1.
What is the InChIKey of 4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is HIZOTHLNNPXFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-5,13H,6-8H2.
What are the key properties of 4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine?
4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 177.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 15047262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).