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

C9H16FN — CID 146299779

IUPAC3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
SMILESCC(C)C1=CNC(C)C(F)C1
InChIInChI=1S/C9H16FN/c1-6(2)8-4-9(10)7(3)11-5-8/h5-7,9,11H,4H2,1-3H3
InChIKeyXBTIZOOZCWODDZ-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.25
Rot. Bonds1

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

3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine (PubChem CID 146299779) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
PubChem CID146299779
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
SMILESCC(C)C1=CNC(C)C(F)C1
InChIInChI=1S/C9H16FN/c1-6(2)8-4-9(10)7(3)11-5-8/h5-7,9,11H,4H2,1-3H3
InChIKeyXBTIZOOZCWODDZ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine (CID 146299779) is 3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine is CC(C)C1=CNC(C)C(F)C1.
What is the InChIKey of 3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine?
The InChIKey is XBTIZOOZCWODDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-6(2)8-4-9(10)7(3)11-5-8/h5-7,9,11H,4H2,1-3H3.
What are the key properties of 3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine?
3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine has a molecular weight of 157.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 146299779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).