5-fluoro-4-propan-2-yl-2,3-dihydropyridine

C8H12FN — CID 142520477

IUPAC5-fluoro-4-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1=C(F)C=NCC1
InChIInChI=1S/C8H12FN/c1-6(2)7-3-4-10-5-8(7)9/h5-6H,3-4H2,1-2H3
InChIKeyGYVYSHRAIXDFGR-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.34
Rot. Bonds1

About 5-fluoro-4-propan-2-yl-2,3-dihydropyridine

5-fluoro-4-propan-2-yl-2,3-dihydropyridine (PubChem CID 142520477) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 5-fluoro-4-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-4-propan-2-yl-2,3-dihydropyridine
PubChem CID142520477
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name5-fluoro-4-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1=C(F)C=NCC1
InChIInChI=1S/C8H12FN/c1-6(2)7-3-4-10-5-8(7)9/h5-6H,3-4H2,1-2H3
InChIKeyGYVYSHRAIXDFGR-UHFFFAOYSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 5-fluoro-4-propan-2-yl-2,3-dihydropyridine (CID 142520477) is 5-fluoro-4-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 5-fluoro-4-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 5-fluoro-4-propan-2-yl-2,3-dihydropyridine is CC(C)C1=C(F)C=NCC1.
What is the InChIKey of 5-fluoro-4-propan-2-yl-2,3-dihydropyridine?
The InChIKey is GYVYSHRAIXDFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6(2)7-3-4-10-5-8(7)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-4-propan-2-yl-2,3-dihydropyridine?
5-fluoro-4-propan-2-yl-2,3-dihydropyridine has a molecular weight of 141.19 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 142520477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).