4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole

C8H11FIN — CID 146376837

IUPAC4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole
SMILESCC(C)(C)c1c[nH]c(F)c1I
InChIInChI=1S/C8H11FIN/c1-8(2,3)5-4-11-7(9)6(5)10/h4,11H,1-3H3
InChIKeyBBSBXAMCPSDOKU-UHFFFAOYSA-N
MW267.08 g/mol
LogP3.06
Rot. Bonds

About 4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole

4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole (PubChem CID 146376837) has the molecular formula C8H11FIN and a molecular weight of 267.08 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole.

Molecular Properties

Compound Name4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole
PubChem CID146376837
Molecular FormulaC8H11FIN
Molecular Weight267.08 g/mol
Exact Mass266.99
IUPAC Name4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole
SMILESCC(C)(C)c1c[nH]c(F)c1I
InChIInChI=1S/C8H11FIN/c1-8(2,3)5-4-11-7(9)6(5)10/h4,11H,1-3H3
InChIKeyBBSBXAMCPSDOKU-UHFFFAOYSA-N
XLogP3.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-ditert-butyl-2-fluoro-5-iodobenzene
CID 90150782
3-tert-butyl-2-iodo-1H-pyrrole
CID 146377987
3-tert-butyl-5-fluoro-1H-pyridin-2-one
CID 68910526
5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 166839491
1-tert-butyl-2-iodobenzene
CID 637957
4-tert-butyl-3-methyl-2-propan-2-yl-1H-pyrrole
CID 89377622
1,2-ditert-butyl-4-chloro-5-fluorobenzene
CID 130260554
1-tert-butyl-3-(3-tert-butyl-2-iodo-5-methylphenyl)sulfanyl-2-iodo-5-methylbenzene
CID 118680327
2-tert-butyl-1,8-diiodo-9H-carbazole
CID 141437079
3-tert-butyl-4,5-dihydro-1H-indole
CID 134571127
2-tert-butyl-3-chloro-4-fluoro-1H-pyrrole
CID 146377408
[4-tert-butyl-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
CID 155118491

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole?
The IUPAC name of 4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole (CID 146376837) is 4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole.
What is the SMILES notation for 4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole?
The canonical SMILES for 4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole is CC(C)(C)c1c[nH]c(F)c1I.
What is the InChIKey of 4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole?
The InChIKey is BBSBXAMCPSDOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FIN/c1-8(2,3)5-4-11-7(9)6(5)10/h4,11H,1-3H3.
What are the key properties of 4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole?
4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole has a molecular weight of 267.08 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoro-3-iodo-1H-pyrrole is sourced from PubChem (CID 146376837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).