5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane]

C14H12BrFIN — CID 156888498

IUPAC5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane]
SMILESFc1cc(I)c2[nH]c3c(c2c1Br)CC1(CC3)CC1
InChIInChI=1S/C14H12BrFIN/c15-12-8(16)5-9(17)13-11(12)7-6-14(3-4-14)2-1-10(7)18-13/h5,18H,1-4,6H2
InChIKeyTTYMOCKTSGDYIB-UHFFFAOYSA-N
MW420.06 g/mol
LogP4.94
Rot. Bonds

About 5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane]

5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane] (PubChem CID 156888498) has the molecular formula C14H12BrFIN and a molecular weight of 420.06 g/mol. Its IUPAC name is 5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane].

Molecular Properties

Compound Name5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane]
PubChem CID156888498
Molecular FormulaC14H12BrFIN
Molecular Weight420.06 g/mol
Exact Mass418.92
IUPAC Name5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane]
SMILESFc1cc(I)c2[nH]c3c(c2c1Br)CC1(CC3)CC1
InChIInChI=1S/C14H12BrFIN/c15-12-8(16)5-9(17)13-11(12)7-6-14(3-4-14)2-1-10(7)18-13/h5,18H,1-4,6H2
InChIKeyTTYMOCKTSGDYIB-UHFFFAOYSA-N
XLogP4.94
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.06
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane]?
The IUPAC name of 5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane] (CID 156888498) is 5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane].
What is the SMILES notation for 5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane]?
The canonical SMILES for 5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane] is Fc1cc(I)c2[nH]c3c(c2c1Br)CC1(CC3)CC1.
What is the InChIKey of 5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane]?
The InChIKey is TTYMOCKTSGDYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFIN/c15-12-8(16)5-9(17)13-11(12)7-6-14(3-4-14)2-1-10(7)18-13/h5,18H,1-4,6H2.
What are the key properties of 5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane]?
5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane] has a molecular weight of 420.06 g/mol, XLogP of 4.94, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-8-iodospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopropane] is sourced from PubChem (CID 156888498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).