4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine

C11H16FN — CID 143839456

IUPAC4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(C(=C)F)C(CC)NCC1
InChIInChI=1S/C11H16FN/c1-4-9-6-7-13-10(5-2)11(9)8(3)12/h4,10,13H,1,3,5-7H2,2H3
InChIKeyUPYLQQUQXYQGRB-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.72
Rot. Bonds3

About 4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine

4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 143839456) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine
PubChem CID143839456
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(C(=C)F)C(CC)NCC1
InChIInChI=1S/C11H16FN/c1-4-9-6-7-13-10(5-2)11(9)8(3)12/h4,10,13H,1,3,5-7H2,2H3
InChIKeyUPYLQQUQXYQGRB-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
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
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
(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
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 16956080
4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine (CID 143839456) is 4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine is C=CC1=C(C(=C)F)C(CC)NCC1.
What is the InChIKey of 4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is UPYLQQUQXYQGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-9-6-7-13-10(5-2)11(9)8(3)12/h4,10,13H,1,3,5-7H2,2H3.
What are the key properties of 4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine?
4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 181.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 143839456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).