(3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine

C8H12FN — CID 166673263

IUPAC(3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine
SMILESCC[C@@H]1C(F)=NC=CC1C
InChIInChI=1S/C8H12FN/c1-3-7-6(2)4-5-10-8(7)9/h4-7H,3H2,1-2H3/t6?,7-/m0/s1
InChIKeyJJJSPKDYYZGCFE-MLWJPKLSSA-N
MW141.19 g/mol
LogP2.54
Rot. Bonds1

About (3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine

(3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine (PubChem CID 166673263) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name(3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine
PubChem CID166673263
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine
SMILESCC[C@@H]1C(F)=NC=CC1C
InChIInChI=1S/C8H12FN/c1-3-7-6(2)4-5-10-8(7)9/h4-7H,3H2,1-2H3/t6?,7-/m0/s1
InChIKeyJJJSPKDYYZGCFE-MLWJPKLSSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine?
The IUPAC name of (3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine (CID 166673263) is (3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine.
What is the SMILES notation for (3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine?
The canonical SMILES for (3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine is CC[C@@H]1C(F)=NC=CC1C.
What is the InChIKey of (3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine?
The InChIKey is JJJSPKDYYZGCFE-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-7-6(2)4-5-10-8(7)9/h4-7H,3H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine?
(3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine has a molecular weight of 141.19 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine is sourced from PubChem (CID 166673263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).