7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]

C11H11BrFN — CID 106701792

IUPAC7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
SMILESCC1CC12CNc1c(Br)cc(F)cc12
InChIInChI=1S/C11H11BrFN/c1-6-4-11(6)5-14-10-8(11)2-7(13)3-9(10)12/h2-3,6,14H,4-5H2,1H3
InChIKeyWBXRLYUGYCFGPH-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.29
Rot. Bonds

About 7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]

7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane] (PubChem CID 106701792) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane].

Molecular Properties

Compound Name7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
PubChem CID106701792
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
SMILESCC1CC12CNc1c(Br)cc(F)cc12
InChIInChI=1S/C11H11BrFN/c1-6-4-11(6)5-14-10-8(11)2-7(13)3-9(10)12/h2-3,6,14H,4-5H2,1H3
InChIKeyWBXRLYUGYCFGPH-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701793
7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole
CID 106701962
7-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701783
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 103863094
1-(2-amino-3-bromo-5-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 106702434
7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one
CID 106702167
5,7-dibromo-3,3-difluoro-1,2-dihydroindole
CID 10979905
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one
CID 106702087
3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole
CID 106701849
5-tert-butyl-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701782
(4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 68892787
2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine
CID 117432844

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]?
The IUPAC name of 7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane] (CID 106701792) is 7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane].
What is the SMILES notation for 7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]?
The canonical SMILES for 7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane] is CC1CC12CNc1c(Br)cc(F)cc12.
What is the InChIKey of 7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]?
The InChIKey is WBXRLYUGYCFGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN/c1-6-4-11(6)5-14-10-8(11)2-7(13)3-9(10)12/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]?
7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane] has a molecular weight of 256.12 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane] is sourced from PubChem (CID 106701792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).