2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine

C12H18FN — CID 134448196

IUPAC2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine
SMILESC/C=C/C1=CNC(CC)C(C(C)F)=C1
InChIInChI=1S/C12H18FN/c1-4-6-10-7-11(9(3)13)12(5-2)14-8-10/h4,6-9,12,14H,5H2,1-3H3/b6-4+
InChIKeyCZWLXDIJUOGKTI-GQCTYLIASA-N
MW195.28 g/mol
LogP3.11
Rot. Bonds3

About 2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine

2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine (PubChem CID 134448196) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine
PubChem CID134448196
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine
SMILESC/C=C/C1=CNC(CC)C(C(C)F)=C1
InChIInChI=1S/C12H18FN/c1-4-6-10-7-11(9(3)13)12(5-2)14-8-10/h4,6-9,12,14H,5H2,1-3H3/b6-4+
InChIKeyCZWLXDIJUOGKTI-GQCTYLIASA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 3143282
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
CID 7175881
3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole
CID 59950841
4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
(1R)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 89293523
2-fluoro-N-methyl-6-propylcyclohexa-2,5-dien-1-amine
CID 91438646
2-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123678062
2-(4-fluorocyclohexa-1,3-dien-1-yl)-2,5-dihydro-1H-pyrrole
CID 123702371

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine?
The IUPAC name of 2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine (CID 134448196) is 2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine.
What is the SMILES notation for 2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine?
The canonical SMILES for 2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine is C/C=C/C1=CNC(CC)C(C(C)F)=C1.
What is the InChIKey of 2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine?
The InChIKey is CZWLXDIJUOGKTI-GQCTYLIASA-N. The full InChI is InChI=1S/C12H18FN/c1-4-6-10-7-11(9(3)13)12(5-2)14-8-10/h4,6-9,12,14H,5H2,1-3H3/b6-4+.
What are the key properties of 2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine?
2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine has a molecular weight of 195.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine is sourced from PubChem (CID 134448196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).