5-fluoro-4-propan-2-yl-1,2-dihydropyridine

C8H12FN — CID 173044958

IUPAC5-fluoro-4-propan-2-yl-1,2-dihydropyridine
SMILESCC(C)C1=CCNC=C1F
InChIInChI=1S/C8H12FN/c1-6(2)7-3-4-10-5-8(7)9/h3,5-6,10H,4H2,1-2H3
InChIKeyHTCXXNBOFUPKGJ-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.98
Rot. Bonds1

About 5-fluoro-4-propan-2-yl-1,2-dihydropyridine

5-fluoro-4-propan-2-yl-1,2-dihydropyridine (PubChem CID 173044958) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 5-fluoro-4-propan-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-4-propan-2-yl-1,2-dihydropyridine
PubChem CID173044958
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name5-fluoro-4-propan-2-yl-1,2-dihydropyridine
SMILESCC(C)C1=CCNC=C1F
InChIInChI=1S/C8H12FN/c1-6(2)7-3-4-10-5-8(7)9/h3,5-6,10H,4H2,1-2H3
InChIKeyHTCXXNBOFUPKGJ-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-4-propan-2-yl-1,2-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-propan-2-yl-1,2-dihydropyridine?
The IUPAC name of 5-fluoro-4-propan-2-yl-1,2-dihydropyridine (CID 173044958) is 5-fluoro-4-propan-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 5-fluoro-4-propan-2-yl-1,2-dihydropyridine?
The canonical SMILES for 5-fluoro-4-propan-2-yl-1,2-dihydropyridine is CC(C)C1=CCNC=C1F.
What is the InChIKey of 5-fluoro-4-propan-2-yl-1,2-dihydropyridine?
The InChIKey is HTCXXNBOFUPKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6(2)7-3-4-10-5-8(7)9/h3,5-6,10H,4H2,1-2H3.
What are the key properties of 5-fluoro-4-propan-2-yl-1,2-dihydropyridine?
5-fluoro-4-propan-2-yl-1,2-dihydropyridine has a molecular weight of 141.19 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-propan-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 173044958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).