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

C9H16FNO — CID 177009817

IUPAC(3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine
SMILESCOC[C@]1(C)CN(C)CC=C1F
InChIInChI=1S/C9H16FNO/c1-9(7-12-3)6-11(2)5-4-8(9)10/h4H,5-7H2,1-3H3/t9-/m0/s1
InChIKeyYRUIQUGZSOSEEO-VIFPVBQESA-N
MW173.23 g/mol
LogP1.44
Rot. Bonds2

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

(3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine (PubChem CID 177009817) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine.

Molecular Properties

Compound Name(3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine
PubChem CID177009817
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine
SMILESCOC[C@]1(C)CN(C)CC=C1F
InChIInChI=1S/C9H16FNO/c1-9(7-12-3)6-11(2)5-4-8(9)10/h4H,5-7H2,1-3H3/t9-/m0/s1
InChIKeyYRUIQUGZSOSEEO-VIFPVBQESA-N
XLogP1.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine?
The IUPAC name of (3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine (CID 177009817) is (3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine.
What is the SMILES notation for (3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine?
The canonical SMILES for (3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine is COC[C@]1(C)CN(C)CC=C1F.
What is the InChIKey of (3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine?
The InChIKey is YRUIQUGZSOSEEO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(7-12-3)6-11(2)5-4-8(9)10/h4H,5-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine?
(3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine has a molecular weight of 173.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-fluoro-3-(methoxymethyl)-1,3-dimethyl-2,6-dihydropyridine is sourced from PubChem (CID 177009817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).