(3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole

C11H11BrFNO — CID 146293229

IUPAC(3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole
SMILESCN1c2ccc(Br)cc2[C@]2(F)CCO[C@H]12
InChIInChI=1S/C11H11BrFNO/c1-14-9-3-2-7(12)6-8(9)11(13)4-5-15-10(11)14/h2-3,6,10H,4-5H2,1H3/t10-,11+/m0/s1
InChIKeyRDBJNLMCKJFEOG-WDEREUQCSA-N
MW272.12 g/mol
LogP2.81
Rot. Bonds

About (3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole

(3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole (PubChem CID 146293229) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is (3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole.

Molecular Properties

Compound Name(3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole
PubChem CID146293229
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name(3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole
SMILESCN1c2ccc(Br)cc2[C@]2(F)CCO[C@H]12
InChIInChI=1S/C11H11BrFNO/c1-14-9-3-2-7(12)6-8(9)11(13)4-5-15-10(11)14/h2-3,6,10H,4-5H2,1H3/t10-,11+/m0/s1
InChIKeyRDBJNLMCKJFEOG-WDEREUQCSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The IUPAC name of (3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole (CID 146293229) is (3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole.
What is the SMILES notation for (3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The canonical SMILES for (3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole is CN1c2ccc(Br)cc2[C@]2(F)CCO[C@H]12.
What is the InChIKey of (3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The InChIKey is RDBJNLMCKJFEOG-WDEREUQCSA-N. The full InChI is InChI=1S/C11H11BrFNO/c1-14-9-3-2-7(12)6-8(9)11(13)4-5-15-10(11)14/h2-3,6,10H,4-5H2,1H3/t10-,11+/m0/s1.
What are the key properties of (3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole?
(3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole has a molecular weight of 272.12 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-7-bromo-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole is sourced from PubChem (CID 146293229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).