4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine

C13H19F2N — CID 123180150

IUPAC4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine
SMILESCC/C=C(\F)C1=NC(CCC)CC(F)=C1C
InChIInChI=1S/C13H19F2N/c1-4-6-10-8-12(15)9(3)13(16-10)11(14)7-5-2/h7,10H,4-6,8H2,1-3H3/b11-7-
InChIKeyVBJPKNUIBCBZRB-XFFZJAGNSA-N
MW227.30 g/mol
LogP4.51
Rot. Bonds4

About 4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine

4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine (PubChem CID 123180150) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine
PubChem CID123180150
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine
SMILESCC/C=C(\F)C1=NC(CCC)CC(F)=C1C
InChIInChI=1S/C13H19F2N/c1-4-6-10-8-12(15)9(3)13(16-10)11(14)7-5-2/h7,10H,4-6,8H2,1-3H3/b11-7-
InChIKeyVBJPKNUIBCBZRB-XFFZJAGNSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine?
The IUPAC name of 4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine (CID 123180150) is 4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine.
What is the SMILES notation for 4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine?
The canonical SMILES for 4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine is CC/C=C(\F)C1=NC(CCC)CC(F)=C1C.
What is the InChIKey of 4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine?
The InChIKey is VBJPKNUIBCBZRB-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H19F2N/c1-4-6-10-8-12(15)9(3)13(16-10)11(14)7-5-2/h7,10H,4-6,8H2,1-3H3/b11-7-.
What are the key properties of 4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine?
4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine has a molecular weight of 227.30 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine is sourced from PubChem (CID 123180150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).