1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine

C13H22FN — CID 167113821

IUPAC1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine
SMILESC=C(F)C1=CN(C(C)(C)C)CCC1(C)C
InChIInChI=1S/C13H22FN/c1-10(14)11-9-15(12(2,3)4)8-7-13(11,5)6/h9H,1,7-8H2,2-6H3
InChIKeyDHVWZNAUJWLCKL-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.88
Rot. Bonds1

About 1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine

1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine (PubChem CID 167113821) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine
PubChem CID167113821
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine
SMILESC=C(F)C1=CN(C(C)(C)C)CCC1(C)C
InChIInChI=1S/C13H22FN/c1-10(14)11-9-15(12(2,3)4)8-7-13(11,5)6/h9H,1,7-8H2,2-6H3
InChIKeyDHVWZNAUJWLCKL-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine?
The IUPAC name of 1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine (CID 167113821) is 1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine is C=C(F)C1=CN(C(C)(C)C)CCC1(C)C.
What is the InChIKey of 1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine?
The InChIKey is DHVWZNAUJWLCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c1-10(14)11-9-15(12(2,3)4)8-7-13(11,5)6/h9H,1,7-8H2,2-6H3.
What are the key properties of 1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine?
1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine has a molecular weight of 211.32 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(1-fluoroethenyl)-4,4-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 167113821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).