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

C8H12FN — CID 145484234

IUPAC5-fluoro-2-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=NC=C(F)CC1
InChIInChI=1S/C8H12FN/c1-6(2)8-4-3-7(9)5-10-8/h5-6H,3-4H2,1-2H3
InChIKeyRHQTWYZIXLPFPM-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.69
Rot. Bonds1

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

5-fluoro-2-propan-2-yl-3,4-dihydropyridine (PubChem CID 145484234) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-2-propan-2-yl-3,4-dihydropyridine
PubChem CID145484234
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name5-fluoro-2-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=NC=C(F)CC1
InChIInChI=1S/C8H12FN/c1-6(2)8-4-3-7(9)5-10-8/h5-6H,3-4H2,1-2H3
InChIKeyRHQTWYZIXLPFPM-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 5-fluoro-2-propan-2-yl-3,4-dihydropyridine (CID 145484234) is 5-fluoro-2-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 5-fluoro-2-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 5-fluoro-2-propan-2-yl-3,4-dihydropyridine is CC(C)C1=NC=C(F)CC1.
What is the InChIKey of 5-fluoro-2-propan-2-yl-3,4-dihydropyridine?
The InChIKey is RHQTWYZIXLPFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6(2)8-4-3-7(9)5-10-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-2-propan-2-yl-3,4-dihydropyridine?
5-fluoro-2-propan-2-yl-3,4-dihydropyridine has a molecular weight of 141.19 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 145484234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).