4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole

C7H9FIN — CID 138495003

IUPAC4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole
SMILESCC(C)c1[nH]cc(F)c1I
InChIInChI=1S/C7H9FIN/c1-4(2)7-6(9)5(8)3-10-7/h3-4,10H,1-2H3
InChIKeyQROGALRTWPKQGW-UHFFFAOYSA-N
MW253.06 g/mol
LogP2.88
Rot. Bonds1

About 4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole

4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole (PubChem CID 138495003) has the molecular formula C7H9FIN and a molecular weight of 253.06 g/mol. Its IUPAC name is 4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Name4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole
PubChem CID138495003
Molecular FormulaC7H9FIN
Molecular Weight253.06 g/mol
Exact Mass252.98
IUPAC Name4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole
SMILESCC(C)c1[nH]cc(F)c1I
InChIInChI=1S/C7H9FIN/c1-4(2)7-6(9)5(8)3-10-7/h3-4,10H,1-2H3
InChIKeyQROGALRTWPKQGW-UHFFFAOYSA-N
XLogP2.88
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.06
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-hydroxy-2-propan-2-yl-1H-pyridin-4-one
CID 118460200
2,3,4-tri(propan-2-yl)-1H-pyrrole
CID 90075939
2,5-difluoro-3-iodo-1H-pyridin-4-one
CID 167730457
4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118812570
3-fluoro-6-propan-2-yl-1H-indole
CID 176945833
5-fluoro-4-iodo-1H-pyridine-2-thione
CID 130867116
3-fluoro-5-propan-2-yl-1H-pyridin-2-one
CID 145320193
1-fluoro-2-iodo-3-methylsulfanylbenzene
CID 91881041
3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130103823
3-fluoro-5-propan-2-yl-1H-pyridin-4-one
CID 134168269
4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile
CID 176926524
2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one
CID 130079521

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole?
The IUPAC name of 4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole (CID 138495003) is 4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole.
What is the SMILES notation for 4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole?
The canonical SMILES for 4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole is CC(C)c1[nH]cc(F)c1I.
What is the InChIKey of 4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole?
The InChIKey is QROGALRTWPKQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FIN/c1-4(2)7-6(9)5(8)3-10-7/h3-4,10H,1-2H3.
What are the key properties of 4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole?
4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole has a molecular weight of 253.06 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-iodo-2-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 138495003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).