5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole

C11H16FN — CID 157262178

IUPAC5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole
SMILESCC(C)(C)C1=NCC(C2CC2)=C1F
InChIInChI=1S/C11H16FN/c1-11(2,3)10-9(12)8(6-13-10)7-4-5-7/h7H,4-6H2,1-3H3
InChIKeyAXOXOWXUPFETCH-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.12
Rot. Bonds1

About 5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole

5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole (PubChem CID 157262178) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole.

Molecular Properties

Compound Name5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole
PubChem CID157262178
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole
SMILESCC(C)(C)C1=NCC(C2CC2)=C1F
InChIInChI=1S/C11H16FN/c1-11(2,3)10-9(12)8(6-13-10)7-4-5-7/h7H,4-6H2,1-3H3
InChIKeyAXOXOWXUPFETCH-UHFFFAOYSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-5-cyclopropyl-4-fluoro-2H-pyrrole
CID 147086642
5-tert-butyl-4-fluoro-3-methyl-2H-pyrrole
CID 164992568
4-tert-butyl-3-cyclopropyl-2H-pyrrole
CID 89982336
4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole
CID 118941247
3-cyclopropyl-5-methyl-4-propan-2-yl-2H-pyrrole
CID 134506738
3-tert-butyl-4-cyclopropyl-2H-pyrrole
CID 148350237
5-tert-butyl-3-cyclopropyl-2H-pyrrole
CID 157614015
3-tert-butyl-4-(1,2,2-trideuteriocyclopropyl)-2H-pyrrole
CID 159359545
3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole
CID 166937927
3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole
CID 167097241
3-tert-butyl-5-cyclopropyl-2H-pyrrole
CID 157177038

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole?
The IUPAC name of 5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole (CID 157262178) is 5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole.
What is the SMILES notation for 5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole?
The canonical SMILES for 5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole is CC(C)(C)C1=NCC(C2CC2)=C1F.
What is the InChIKey of 5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole?
The InChIKey is AXOXOWXUPFETCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-11(2,3)10-9(12)8(6-13-10)7-4-5-7/h7H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole?
5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole has a molecular weight of 181.25 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole is sourced from PubChem (CID 157262178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).