5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine

C12H18FN — CID 166101162

IUPAC5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine
SMILESC=C(F)C1=C(C(=C)C(C)C)CCNC1
InChIInChI=1S/C12H18FN/c1-8(2)9(3)11-5-6-14-7-12(11)10(4)13/h8,14H,3-7H2,1-2H3
InChIKeyHMXSMTUQVXBJFH-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.97
Rot. Bonds3

About 5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine

5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 166101162) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID166101162
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine
SMILESC=C(F)C1=C(C(=C)C(C)C)CCNC1
InChIInChI=1S/C12H18FN/c1-8(2)9(3)11-5-6-14-7-12(11)10(4)13/h8,14H,3-7H2,1-2H3
InChIKeyHMXSMTUQVXBJFH-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine (CID 166101162) is 5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine is C=C(F)C1=C(C(=C)C(C)C)CCNC1.
What is the InChIKey of 5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is HMXSMTUQVXBJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-8(2)9(3)11-5-6-14-7-12(11)10(4)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine?
5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 195.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethenyl)-4-(3-methylbut-1-en-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 166101162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).