ethane;2-fluoro-3,4-dihydropyridine

C7H12FN — CID 144625208

IUPACethane;2-fluoro-3,4-dihydropyridine
SMILESCC.FC1=NC=CCC1
InChIInChI=1S/C5H6FN.C2H6/c6-5-3-1-2-4-7-5;1-2/h2,4H,1,3H2;1-2H3
InChIKeyDARKGNDVCOSUAO-UHFFFAOYSA-N
MW129.18 g/mol
LogP2.69
Rot. Bonds

About ethane;2-fluoro-3,4-dihydropyridine

ethane;2-fluoro-3,4-dihydropyridine (PubChem CID 144625208) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is ethane;2-fluoro-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;2-fluoro-3,4-dihydropyridine
PubChem CID144625208
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Nameethane;2-fluoro-3,4-dihydropyridine
SMILESCC.FC1=NC=CCC1
InChIInChI=1S/C5H6FN.C2H6/c6-5-3-1-2-4-7-5;1-2/h2,4H,1,3H2;1-2H3
InChIKeyDARKGNDVCOSUAO-UHFFFAOYSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-3,4-dihydropyridine?
The IUPAC name of ethane;2-fluoro-3,4-dihydropyridine (CID 144625208) is ethane;2-fluoro-3,4-dihydropyridine.
What is the SMILES notation for ethane;2-fluoro-3,4-dihydropyridine?
The canonical SMILES for ethane;2-fluoro-3,4-dihydropyridine is CC.FC1=NC=CCC1.
What is the InChIKey of ethane;2-fluoro-3,4-dihydropyridine?
The InChIKey is DARKGNDVCOSUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN.C2H6/c6-5-3-1-2-4-7-5;1-2/h2,4H,1,3H2;1-2H3.
What are the key properties of ethane;2-fluoro-3,4-dihydropyridine?
ethane;2-fluoro-3,4-dihydropyridine has a molecular weight of 129.18 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-3,4-dihydropyridine is sourced from PubChem (CID 144625208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).