ethane;6-fluoro-5-methyl-3,4-dihydropyridine

C8H14FN — CID 143782199

IUPACethane;6-fluoro-5-methyl-3,4-dihydropyridine
SMILESCC.CC1=C(F)N=CCC1
InChIInChI=1S/C6H8FN.C2H6/c1-5-3-2-4-8-6(5)7;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyQGIBZVVBLFPBOD-UHFFFAOYSA-N
MW143.20 g/mol
LogP3.08
Rot. Bonds

About ethane;6-fluoro-5-methyl-3,4-dihydropyridine

ethane;6-fluoro-5-methyl-3,4-dihydropyridine (PubChem CID 143782199) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is ethane;6-fluoro-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;6-fluoro-5-methyl-3,4-dihydropyridine
PubChem CID143782199
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Nameethane;6-fluoro-5-methyl-3,4-dihydropyridine
SMILESCC.CC1=C(F)N=CCC1
InChIInChI=1S/C6H8FN.C2H6/c1-5-3-2-4-8-6(5)7;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyQGIBZVVBLFPBOD-UHFFFAOYSA-N
XLogP3.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-5-methyl-3,4-dihydropyridine
CID 89642561
4-Fluoro-5-methyl-3,4-dihydropyridine
CID 90764020
6-Fluoro-3,5-dimethyl-3,4-dihydropyridine
CID 134581916
6-Fluoro-5-methyl-3,4-dihydropyridine
CID 143420571
(Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine
CID 143782166
Ethane;5-methyl-3,4-dihydropyridine
CID 142022228
N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine
CID 174336590

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-5-methyl-3,4-dihydropyridine?
The IUPAC name of ethane;6-fluoro-5-methyl-3,4-dihydropyridine (CID 143782199) is ethane;6-fluoro-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for ethane;6-fluoro-5-methyl-3,4-dihydropyridine?
The canonical SMILES for ethane;6-fluoro-5-methyl-3,4-dihydropyridine is CC.CC1=C(F)N=CCC1.
What is the InChIKey of ethane;6-fluoro-5-methyl-3,4-dihydropyridine?
The InChIKey is QGIBZVVBLFPBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN.C2H6/c1-5-3-2-4-8-6(5)7;1-2/h4H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;6-fluoro-5-methyl-3,4-dihydropyridine?
ethane;6-fluoro-5-methyl-3,4-dihydropyridine has a molecular weight of 143.20 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 143782199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).