4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one

C10H7BrFNO — CID 130049276

IUPAC4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2c(F)ccc(Br)c2C12CC2
InChIInChI=1S/C10H7BrFNO/c11-5-1-2-6(12)8-7(5)10(3-4-10)9(14)13-8/h1-2H,3-4H2,(H,13,14)
InChIKeyYXWWDGGNVAWAAT-UHFFFAOYSA-N
MW256.07 g/mol
LogP2.57
Rot. Bonds

About 4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one

4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 130049276) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID130049276
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2c(F)ccc(Br)c2C12CC2
InChIInChI=1S/C10H7BrFNO/c11-5-1-2-6(12)8-7(5)10(3-4-10)9(14)13-8/h1-2H,3-4H2,(H,13,14)
InChIKeyYXWWDGGNVAWAAT-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3,3,7-trifluoro-1H-indol-2-one
CID 121361952
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 103863094
7-fluorospiro[1H-indole-3,4'-piperidine]-2-one
CID 84623509
4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 130049258
7-(3-bromo-4-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 104782111
4-bromo-7-fluoro-1H-indole-2,3-dione
CID 43555512
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one
CID 106702087
7-fluoro-3,3,4-trimethyl-1H-indol-2-one
CID 80501015
8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 130051331
7-(5-chloro-2-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599284
9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 107604995
7-fluoro-2'-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702100

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 130049276) is 4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2c(F)ccc(Br)c2C12CC2.
What is the InChIKey of 4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is YXWWDGGNVAWAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c11-5-1-2-6(12)8-7(5)10(3-4-10)9(14)13-8/h1-2H,3-4H2,(H,13,14).
What are the key properties of 4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 256.07 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 130049276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).