2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine

C9H16FN — CID 135212630

IUPAC2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
SMILESCC(C)C1=CNC(F)C(C)C1
InChIInChI=1S/C9H16FN/c1-6(2)8-4-7(3)9(10)11-5-8/h5-7,9,11H,4H2,1-3H3
InChIKeyCYVYLAXWNXDVDG-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.45
Rot. Bonds1

About 2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine

2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine (PubChem CID 135212630) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
PubChem CID135212630
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
SMILESCC(C)C1=CNC(F)C(C)C1
InChIInChI=1S/C9H16FN/c1-6(2)8-4-7(3)9(10)11-5-8/h5-7,9,11H,4H2,1-3H3
InChIKeyCYVYLAXWNXDVDG-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine (CID 135212630) is 2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine is CC(C)C1=CNC(F)C(C)C1.
What is the InChIKey of 2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine?
The InChIKey is CYVYLAXWNXDVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-6(2)8-4-7(3)9(10)11-5-8/h5-7,9,11H,4H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine?
2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine has a molecular weight of 157.23 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 135212630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).