3-bromo-7-fluoro-2-propan-2-yl-1H-indole

C11H11BrFN — CID 84708741

IUPAC3-bromo-7-fluoro-2-propan-2-yl-1H-indole
SMILESCC(C)c1[nH]c2c(F)cccc2c1Br
InChIInChI=1S/C11H11BrFN/c1-6(2)10-9(12)7-4-3-5-8(13)11(7)14-10/h3-6,14H,1-2H3
InChIKeyIHVPBHPGRUCGIL-UHFFFAOYSA-N
MW256.12 g/mol
LogP4.19
Rot. Bonds1

About 3-bromo-7-fluoro-2-propan-2-yl-1H-indole

3-bromo-7-fluoro-2-propan-2-yl-1H-indole (PubChem CID 84708741) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 3-bromo-7-fluoro-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name3-bromo-7-fluoro-2-propan-2-yl-1H-indole
PubChem CID84708741
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name3-bromo-7-fluoro-2-propan-2-yl-1H-indole
SMILESCC(C)c1[nH]c2c(F)cccc2c1Br
InChIInChI=1S/C11H11BrFN/c1-6(2)10-9(12)7-4-3-5-8(13)11(7)14-10/h3-6,14H,1-2H3
InChIKeyIHVPBHPGRUCGIL-UHFFFAOYSA-N
XLogP4.19
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

7-fluoro-3-propan-2-yl-1H-indole
CID 86276645
3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole
CID 84644364
1,8-di(propan-2-yl)-9H-carbazole
CID 174295528
8-fluoro-1H-quinazoline-2,4-dione
CID 10080993
(7-fluoro-2-methyl-1H-indol-3-yl)methanamine
CID 65335308
3-ethyl-7-fluoro-1H-indole-2-carboxylic acid
CID 84620839
8-fluoro-2-propyl-1H-quinolin-4-one
CID 39346190
2,3-di(propan-2-yl)-1H-indole
CID 15398122
7-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335195
3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole
CID 176573600
7-fluoro-3-methyl-1H-indole
CID 55287812
(E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine
CID 142460303

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-fluoro-2-propan-2-yl-1H-indole?
The IUPAC name of 3-bromo-7-fluoro-2-propan-2-yl-1H-indole (CID 84708741) is 3-bromo-7-fluoro-2-propan-2-yl-1H-indole.
What is the SMILES notation for 3-bromo-7-fluoro-2-propan-2-yl-1H-indole?
The canonical SMILES for 3-bromo-7-fluoro-2-propan-2-yl-1H-indole is CC(C)c1[nH]c2c(F)cccc2c1Br.
What is the InChIKey of 3-bromo-7-fluoro-2-propan-2-yl-1H-indole?
The InChIKey is IHVPBHPGRUCGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN/c1-6(2)10-9(12)7-4-3-5-8(13)11(7)14-10/h3-6,14H,1-2H3.
What are the key properties of 3-bromo-7-fluoro-2-propan-2-yl-1H-indole?
3-bromo-7-fluoro-2-propan-2-yl-1H-indole has a molecular weight of 256.12 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-fluoro-2-propan-2-yl-1H-indole is sourced from PubChem (CID 84708741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).