6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]

C12H13BrFNO — CID 156632845

IUPAC6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]
SMILESFc1cc(Br)cc2c1C1(CCOCC1)CN2
InChIInChI=1S/C12H13BrFNO/c13-8-5-9(14)11-10(6-8)15-7-12(11)1-3-16-4-2-12/h5-6,15H,1-4,7H2
InChIKeyBEFCFDZZQXENRN-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.06
Rot. Bonds

About 6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]

6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane] (PubChem CID 156632845) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane].

Molecular Properties

Compound Name6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]
PubChem CID156632845
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]
SMILESFc1cc(Br)cc2c1C1(CCOCC1)CN2
InChIInChI=1S/C12H13BrFNO/c13-8-5-9(14)11-10(6-8)15-7-12(11)1-3-16-4-2-12/h5-6,15H,1-4,7H2
InChIKeyBEFCFDZZQXENRN-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]?
The IUPAC name of 6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane] (CID 156632845) is 6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane].
What is the SMILES notation for 6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]?
The canonical SMILES for 6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane] is Fc1cc(Br)cc2c1C1(CCOCC1)CN2.
What is the InChIKey of 6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]?
The InChIKey is BEFCFDZZQXENRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c13-8-5-9(14)11-10(6-8)15-7-12(11)1-3-16-4-2-12/h5-6,15H,1-4,7H2.
What are the key properties of 6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]?
6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane] has a molecular weight of 286.14 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane] is sourced from PubChem (CID 156632845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).