5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole

C9H16FN — CID 146392555

IUPAC5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole
SMILESCC1(F)C=C(C(C)(C)C)NC1
InChIInChI=1S/C9H16FN/c1-8(2,3)7-5-9(4,10)6-11-7/h5,11H,6H2,1-4H3
InChIKeyUNRNREWEPKHOJJ-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.25
Rot. Bonds

About 5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole

5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole (PubChem CID 146392555) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole.

Molecular Properties

Compound Name5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole
PubChem CID146392555
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole
SMILESCC1(F)C=C(C(C)(C)C)NC1
InChIInChI=1S/C9H16FN/c1-8(2,3)7-5-9(4,10)6-11-7/h5,11H,6H2,1-4H3
InChIKeyUNRNREWEPKHOJJ-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole?
The IUPAC name of 5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole (CID 146392555) is 5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole.
What is the SMILES notation for 5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole?
The canonical SMILES for 5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole is CC1(F)C=C(C(C)(C)C)NC1.
What is the InChIKey of 5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole?
The InChIKey is UNRNREWEPKHOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-8(2,3)7-5-9(4,10)6-11-7/h5,11H,6H2,1-4H3.
What are the key properties of 5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole?
5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole has a molecular weight of 157.23 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole is sourced from PubChem (CID 146392555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).