4-bromo-2-(1-fluoroethyl)-1-methylindole

C11H11BrFN — CID 84708729

IUPAC4-bromo-2-(1-fluoroethyl)-1-methylindole
SMILESCC(F)c1cc2c(Br)cccc2n1C
InChIInChI=1S/C11H11BrFN/c1-7(13)11-6-8-9(12)4-3-5-10(8)14(11)2/h3-7H,1-2H3
InChIKeyOLLGOCFOKYSILS-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.97
Rot. Bonds1

About 4-bromo-2-(1-fluoroethyl)-1-methylindole

4-bromo-2-(1-fluoroethyl)-1-methylindole (PubChem CID 84708729) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 4-bromo-2-(1-fluoroethyl)-1-methylindole.

Molecular Properties

Compound Name4-bromo-2-(1-fluoroethyl)-1-methylindole
PubChem CID84708729
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name4-bromo-2-(1-fluoroethyl)-1-methylindole
SMILESCC(F)c1cc2c(Br)cccc2n1C
InChIInChI=1S/C11H11BrFN/c1-7(13)11-6-8-9(12)4-3-5-10(8)14(11)2/h3-7H,1-2H3
InChIKeyOLLGOCFOKYSILS-UHFFFAOYSA-N
XLogP3.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115071837
methyl 2-amino-2-(4-bromo-1-methylindol-2-yl)acetate
CID 115071831
1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine
CID 117173114
CID 174586539
CID 174586539
2-(4-fluoro-1-methylindol-2-yl)propan-1-ol
CID 117120428
5-bromo-1-methyl-3-nitroquinolin-2-one
CID 162754059
4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole
CID 175555491
1,4-dimethyl-2-propan-2-ylindole;oxalic acid
CID 19389733
5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine
CID 115113730
1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine
CID 117173714
4-bromo-1-propan-2-ylindazole
CID 84727907
3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 164756576

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-fluoroethyl)-1-methylindole?
The IUPAC name of 4-bromo-2-(1-fluoroethyl)-1-methylindole (CID 84708729) is 4-bromo-2-(1-fluoroethyl)-1-methylindole.
What is the SMILES notation for 4-bromo-2-(1-fluoroethyl)-1-methylindole?
The canonical SMILES for 4-bromo-2-(1-fluoroethyl)-1-methylindole is CC(F)c1cc2c(Br)cccc2n1C.
What is the InChIKey of 4-bromo-2-(1-fluoroethyl)-1-methylindole?
The InChIKey is OLLGOCFOKYSILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN/c1-7(13)11-6-8-9(12)4-3-5-10(8)14(11)2/h3-7H,1-2H3.
What are the key properties of 4-bromo-2-(1-fluoroethyl)-1-methylindole?
4-bromo-2-(1-fluoroethyl)-1-methylindole has a molecular weight of 256.12 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-fluoroethyl)-1-methylindole is sourced from PubChem (CID 84708729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).