6-bromo-3-(1,1-difluoroethyl)-1-methylindole

C11H10BrF2N — CID 84713699

IUPAC6-bromo-3-(1,1-difluoroethyl)-1-methylindole
SMILESCn1cc(C(C)(F)F)c2ccc(Br)cc21
InChIInChI=1S/C11H10BrF2N/c1-11(13,14)9-6-15(2)10-5-7(12)3-4-8(9)10/h3-6H,1-2H3
InChIKeyHTYVEQZIYLEJEF-UHFFFAOYSA-N
MW274.11 g/mol
LogP4.05
Rot. Bonds1

About 6-bromo-3-(1,1-difluoroethyl)-1-methylindole

6-bromo-3-(1,1-difluoroethyl)-1-methylindole (PubChem CID 84713699) has the molecular formula C11H10BrF2N and a molecular weight of 274.11 g/mol. Its IUPAC name is 6-bromo-3-(1,1-difluoroethyl)-1-methylindole.

Molecular Properties

Compound Name6-bromo-3-(1,1-difluoroethyl)-1-methylindole
PubChem CID84713699
Molecular FormulaC11H10BrF2N
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name6-bromo-3-(1,1-difluoroethyl)-1-methylindole
SMILESCn1cc(C(C)(F)F)c2ccc(Br)cc21
InChIInChI=1S/C11H10BrF2N/c1-11(13,14)9-6-15(2)10-5-7(12)3-4-8(9)10/h3-6H,1-2H3
InChIKeyHTYVEQZIYLEJEF-UHFFFAOYSA-N
XLogP4.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole
CID 102127981
6-bromo-1-methyl-3-propan-2-ylindole
CID 115046928
2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine
CID 84642809
3-(2-fluoropropan-2-yl)-1-methylindol-6-ol
CID 84675129
6-bromo-3-ethyl-1-methylindole
CID 115042453
2-fluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]propanal
CID 174647556
7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 170588235
1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine
CID 82278947
2,7-dibromo-9-methylcarbazole
CID 11851387
3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine
CID 84627862
5-bromo-3-(1,1-difluoroethyl)-1-benzofuran
CID 84710327
7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one
CID 12807892

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1,1-difluoroethyl)-1-methylindole?
The IUPAC name of 6-bromo-3-(1,1-difluoroethyl)-1-methylindole (CID 84713699) is 6-bromo-3-(1,1-difluoroethyl)-1-methylindole.
What is the SMILES notation for 6-bromo-3-(1,1-difluoroethyl)-1-methylindole?
The canonical SMILES for 6-bromo-3-(1,1-difluoroethyl)-1-methylindole is Cn1cc(C(C)(F)F)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-3-(1,1-difluoroethyl)-1-methylindole?
The InChIKey is HTYVEQZIYLEJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N/c1-11(13,14)9-6-15(2)10-5-7(12)3-4-8(9)10/h3-6H,1-2H3.
What are the key properties of 6-bromo-3-(1,1-difluoroethyl)-1-methylindole?
6-bromo-3-(1,1-difluoroethyl)-1-methylindole has a molecular weight of 274.11 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1,1-difluoroethyl)-1-methylindole is sourced from PubChem (CID 84713699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).