2-ethyl-3-fluoro-3,4-dihydropyridine

C7H10FN — CID 142996668

IUPAC2-ethyl-3-fluoro-3,4-dihydropyridine
SMILESCCC1=NC=CCC1F
InChIInChI=1S/C7H10FN/c1-2-7-6(8)4-3-5-9-7/h3,5-6H,2,4H2,1H3
InChIKeyXGXSLLQAPRFPPJ-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.09
Rot. Bonds1

About 2-ethyl-3-fluoro-3,4-dihydropyridine

2-ethyl-3-fluoro-3,4-dihydropyridine (PubChem CID 142996668) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-3,4-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-3-fluoro-3,4-dihydropyridine
PubChem CID142996668
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name2-ethyl-3-fluoro-3,4-dihydropyridine
SMILESCCC1=NC=CCC1F
InChIInChI=1S/C7H10FN/c1-2-7-6(8)4-3-5-9-7/h3,5-6H,2,4H2,1H3
InChIKeyXGXSLLQAPRFPPJ-UHFFFAOYSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Fluoro-2-methyl-3,4-dihydropyridine
CID 89117465
2-(Trifluoromethyl)-3,4-dihydropyridine
CID 118501196
5-(1-Fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine
CID 123876492
5-Fluoro-2-methyl-3,4-dihydropyridine
CID 143745504
Ethane;2-(trifluoromethyl)-3,4-dihydropyridine
CID 144625238
4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine
CID 146342859
2-ethyl-4-fluoro-3H-pyrrole
CID 146392883
2-(2-fluoroethyl)-3H-pyridine-4-thione
CID 152540784
3-Fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 154991486
2-(Fluoromethyl)-3,4-dihydropyridine
CID 166907541
3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine
CID 171815544
N-ethenyl-2-fluoropent-1-en-3-imine
CID 172345409

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-3,4-dihydropyridine?
The IUPAC name of 2-ethyl-3-fluoro-3,4-dihydropyridine (CID 142996668) is 2-ethyl-3-fluoro-3,4-dihydropyridine.
What is the SMILES notation for 2-ethyl-3-fluoro-3,4-dihydropyridine?
The canonical SMILES for 2-ethyl-3-fluoro-3,4-dihydropyridine is CCC1=NC=CCC1F.
What is the InChIKey of 2-ethyl-3-fluoro-3,4-dihydropyridine?
The InChIKey is XGXSLLQAPRFPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-7-6(8)4-3-5-9-7/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-ethyl-3-fluoro-3,4-dihydropyridine?
2-ethyl-3-fluoro-3,4-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-3,4-dihydropyridine is sourced from PubChem (CID 142996668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).