5-(fluoromethyl)-1,2,3,6-tetrahydropyridine

C6H10FN — CID 117205587

IUPAC5-(fluoromethyl)-1,2,3,6-tetrahydropyridine
SMILESFCC1=CCCNC1
InChIInChI=1S/C6H10FN/c7-4-6-2-1-3-8-5-6/h2,8H,1,3-5H2
InChIKeyIXUZMOCELXMECW-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.88
Rot. Bonds1

About 5-(fluoromethyl)-1,2,3,6-tetrahydropyridine

5-(fluoromethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 117205587) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 5-(fluoromethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(fluoromethyl)-1,2,3,6-tetrahydropyridine
PubChem CID117205587
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name5-(fluoromethyl)-1,2,3,6-tetrahydropyridine
SMILESFCC1=CCCNC1
InChIInChI=1S/C6H10FN/c7-4-6-2-1-3-8-5-6/h2,8H,1,3-5H2
InChIKeyIXUZMOCELXMECW-UHFFFAOYSA-N
XLogP0.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,6-Tetrahydropyridine
CID 12750
1,2,3,6-Tetrahydropyridine hydrochloride
CID 16212870
4-Methyl-1,2,3,6-tetrahydropyridine
CID 5231576
4-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 13241116
4-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 45933625
(1,2,3,6-Tetrahydropyridin-4-yl)methanamine dihydrochloride
CID 89303161
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole hydrochloride
CID 155144947
5-Methyl-1,2,3,6-tetrahydropyridine
CID 5250455
4-Ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
3,5-Dimethyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 91654411
3,3-Difluoro-1,2,3,6-tetrahydropyridine hydrochloride
CID 155973812
1,2,3,6-Tetrahydropyridinium iodide
CID 129814662

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(fluoromethyl)-1,2,3,6-tetrahydropyridine (CID 117205587) is 5-(fluoromethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(fluoromethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(fluoromethyl)-1,2,3,6-tetrahydropyridine is FCC1=CCCNC1.
What is the InChIKey of 5-(fluoromethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is IXUZMOCELXMECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c7-4-6-2-1-3-8-5-6/h2,8H,1,3-5H2.
What are the key properties of 5-(fluoromethyl)-1,2,3,6-tetrahydropyridine?
5-(fluoromethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 115.15 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 117205587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).