1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole

C13H20FN — CID 90804972

IUPAC1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole
SMILESC=C(C)C1=C(C(=C)F)CN(C(C)(C)C)C1
InChIInChI=1S/C13H20FN/c1-9(2)11-7-15(13(4,5)6)8-12(11)10(3)14/h1,3,7-8H2,2,4-6H3
InChIKeyGSFBSMIHKDQYIW-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.46
Rot. Bonds2

About 1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole

1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole (PubChem CID 90804972) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole
PubChem CID90804972
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole
SMILESC=C(C)C1=C(C(=C)F)CN(C(C)(C)C)C1
InChIInChI=1S/C13H20FN/c1-9(2)11-7-15(13(4,5)6)8-12(11)10(3)14/h1,3,7-8H2,2,4-6H3
InChIKeyGSFBSMIHKDQYIW-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole?
The IUPAC name of 1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole (CID 90804972) is 1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole.
What is the SMILES notation for 1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole?
The canonical SMILES for 1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole is C=C(C)C1=C(C(=C)F)CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole?
The InChIKey is GSFBSMIHKDQYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-9(2)11-7-15(13(4,5)6)8-12(11)10(3)14/h1,3,7-8H2,2,4-6H3.
What are the key properties of 1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole?
1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole has a molecular weight of 209.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole is sourced from PubChem (CID 90804972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).