(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine

C8H12FN — CID 67991646

IUPAC(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
SMILESC[C@H]1CC=CC(CCF)=N1
InChIInChI=1S/C8H12FN/c1-7-3-2-4-8(10-7)5-6-9/h2,4,7H,3,5-6H2,1H3/t7-/m0/s1
InChIKeyWEJQAPRBISCQOK-ZETCQYMHSA-N
MW141.19 g/mol
LogP2.14
Rot. Bonds2

About (2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine

(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine (PubChem CID 67991646) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
PubChem CID67991646
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
SMILESC[C@H]1CC=CC(CCF)=N1
InChIInChI=1S/C8H12FN/c1-7-3-2-4-8(10-7)5-6-9/h2,4,7H,3,5-6H2,1H3/t7-/m0/s1
InChIKeyWEJQAPRBISCQOK-ZETCQYMHSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine?
The IUPAC name of (2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine (CID 67991646) is (2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for (2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine?
The canonical SMILES for (2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine is C[C@H]1CC=CC(CCF)=N1.
What is the InChIKey of (2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine?
The InChIKey is WEJQAPRBISCQOK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12FN/c1-7-3-2-4-8(10-7)5-6-9/h2,4,7H,3,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine?
(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine has a molecular weight of 141.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 67991646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).