(3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine

C10H18FNO — CID 177009762

IUPAC(3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine
SMILESCCOC[C@]1(C)CN(C)CC=C1F
InChIInChI=1S/C10H18FNO/c1-4-13-8-10(2)7-12(3)6-5-9(10)11/h5H,4,6-8H2,1-3H3/t10-/m0/s1
InChIKeyXQDTYALBRHFGRE-JTQLQIEISA-N
MW187.26 g/mol
LogP1.83
Rot. Bonds3

About (3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine

(3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine (PubChem CID 177009762) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine.

Molecular Properties

Compound Name(3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine
PubChem CID177009762
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine
SMILESCCOC[C@]1(C)CN(C)CC=C1F
InChIInChI=1S/C10H18FNO/c1-4-13-8-10(2)7-12(3)6-5-9(10)11/h5H,4,6-8H2,1-3H3/t10-/m0/s1
InChIKeyXQDTYALBRHFGRE-JTQLQIEISA-N
XLogP1.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-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 (3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine?
The IUPAC name of (3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine (CID 177009762) is (3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine.
What is the SMILES notation for (3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine?
The canonical SMILES for (3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine is CCOC[C@]1(C)CN(C)CC=C1F.
What is the InChIKey of (3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine?
The InChIKey is XQDTYALBRHFGRE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18FNO/c1-4-13-8-10(2)7-12(3)6-5-9(10)11/h5H,4,6-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine?
(3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine has a molecular weight of 187.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethoxymethyl)-4-fluoro-1,3-dimethyl-2,6-dihydropyridine is sourced from PubChem (CID 177009762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).