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

C14H21F2N — CID 146429564

IUPAC5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine
SMILESC/C=C/C(F)C1=NC(CCC)CC(F)=C1CC
InChIInChI=1S/C14H21F2N/c1-4-7-10-9-13(16)11(6-3)14(17-10)12(15)8-5-2/h5,8,10,12H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyRHJRXVJAFFXVFY-VMPITWQZSA-N
MW241.32 g/mol
LogP4.55
Rot. Bonds5

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

5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine (PubChem CID 146429564) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine
PubChem CID146429564
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine
SMILESC/C=C/C(F)C1=NC(CCC)CC(F)=C1CC
InChIInChI=1S/C14H21F2N/c1-4-7-10-9-13(16)11(6-3)14(17-10)12(15)8-5-2/h5,8,10,12H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyRHJRXVJAFFXVFY-VMPITWQZSA-N
XLogP4.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
CID 67991646
4-Fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine
CID 90846019
N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine
CID 91344076
6-Ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine
CID 91588124
4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine
CID 123180150
2-Butyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123371459
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
4-Methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123942790
5-(1,1-Difluoroethyl)-2-propyl-2,3-dihydropyridine
CID 135197188
ethene;(E)-N-methyl-5-(trifluoromethyl)oct-5-en-4-imine
CID 144144881
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
3-[(1E,7Z)-cyclonona-1,4,7-trien-1-yl]-1,1,1-trifluoro-N-methylpropan-2-imine
CID 155349381

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine?
The IUPAC name of 5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine (CID 146429564) is 5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine.
What is the SMILES notation for 5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine?
The canonical SMILES for 5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine is C/C=C/C(F)C1=NC(CCC)CC(F)=C1CC.
What is the InChIKey of 5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine?
The InChIKey is RHJRXVJAFFXVFY-VMPITWQZSA-N. The full InChI is InChI=1S/C14H21F2N/c1-4-7-10-9-13(16)11(6-3)14(17-10)12(15)8-5-2/h5,8,10,12H,4,6-7,9H2,1-3H3/b8-5+.
What are the key properties of 5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine?
5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine has a molecular weight of 241.32 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine is sourced from PubChem (CID 146429564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).