7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole

C12H15BrFN — CID 106701962

IUPAC7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole
SMILESCCC1(CC)CNc2c(Br)cc(F)cc21
InChIInChI=1S/C12H15BrFN/c1-3-12(4-2)7-15-11-9(12)5-8(14)6-10(11)13/h5-6,15H,3-4,7H2,1-2H3
InChIKeyGLYJQQQVTWJBGP-UHFFFAOYSA-N
MW272.16 g/mol
LogP4.07
Rot. Bonds2

About 7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole

7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole (PubChem CID 106701962) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole.

Molecular Properties

Compound Name7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole
PubChem CID106701962
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole
SMILESCCC1(CC)CNc2c(Br)cc(F)cc21
InChIInChI=1S/C12H15BrFN/c1-3-12(4-2)7-15-11-9(12)5-8(14)6-10(11)13/h5-6,15H,3-4,7H2,1-2H3
InChIKeyGLYJQQQVTWJBGP-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701792
7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one
CID 106702167
6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole
CID 90034768
3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole
CID 106701849
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 103863094
7-bromo-3,3-diethyl-8-fluoro-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115431525
5,7-dibromo-3,3-difluoro-1,2-dihydroindole
CID 10979905
3,3-diethyl-6,8-difluoro-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115510199
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one
CID 106702087
2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol
CID 84803252
3,3-diethyl-7-fluoro-4,5-dihydro-1H-1,5-benzodiazepin-2-one
CID 113308842
1,2-dibromo-3-ethyl-5-fluorobenzene
CID 118830275

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole?
The IUPAC name of 7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole (CID 106701962) is 7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole.
What is the SMILES notation for 7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole?
The canonical SMILES for 7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole is CCC1(CC)CNc2c(Br)cc(F)cc21.
What is the InChIKey of 7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole?
The InChIKey is GLYJQQQVTWJBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-3-12(4-2)7-15-11-9(12)5-8(14)6-10(11)13/h5-6,15H,3-4,7H2,1-2H3.
What are the key properties of 7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole?
7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole has a molecular weight of 272.16 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole is sourced from PubChem (CID 106701962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).