6-bromo-1-(difluoromethyl)indole

C9H6BrF2N — CID 91759502

IUPAC6-bromo-1-(difluoromethyl)indole
SMILESFC(F)n1ccc2ccc(Br)cc21
InChIInChI=1S/C9H6BrF2N/c10-7-2-1-6-3-4-13(9(11)12)8(6)5-7/h1-5,9H
InChIKeyBDQRKIYAOICRKF-UHFFFAOYSA-N
MW246.05 g/mol
LogP3.80
Rot. Bonds1

About 6-bromo-1-(difluoromethyl)indole

6-bromo-1-(difluoromethyl)indole (PubChem CID 91759502) has the molecular formula C9H6BrF2N and a molecular weight of 246.05 g/mol. Its IUPAC name is 6-bromo-1-(difluoromethyl)indole.

Molecular Properties

Compound Name6-bromo-1-(difluoromethyl)indole
PubChem CID91759502
Molecular FormulaC9H6BrF2N
Molecular Weight246.05 g/mol
Exact Mass244.97
IUPAC Name6-bromo-1-(difluoromethyl)indole
SMILESFC(F)n1ccc2ccc(Br)cc21
InChIInChI=1S/C9H6BrF2N/c10-7-2-1-6-3-4-13(9(11)12)8(6)5-7/h1-5,9H
InChIKeyBDQRKIYAOICRKF-UHFFFAOYSA-N
XLogP3.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromoindole
CID 24905
1-Methylindole
CID 11781
7-Bromoquinoline
CID 521259
1-Phenyl-1H-indole
CID 182029
6-Bromoindole
CID 676493
5-Bromoquinoline
CID 817321
(R,S)-1-(5-bromo-1H-indol-1-yl)propan-2-amine
CID 10753358
2-(4-Bromophenyl)indolizine
CID 346940
2-(6-bromo-1H-indol-3-yl)ethanamine
CID 180714
1-Benzylindole
CID 96913
1-Benzyl-5-Bromo-1H-Indole
CID 285756
5-Bromo-1-methyl-1H-indole
CID 285757

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(difluoromethyl)indole?
The IUPAC name of 6-bromo-1-(difluoromethyl)indole (CID 91759502) is 6-bromo-1-(difluoromethyl)indole.
What is the SMILES notation for 6-bromo-1-(difluoromethyl)indole?
The canonical SMILES for 6-bromo-1-(difluoromethyl)indole is FC(F)n1ccc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(difluoromethyl)indole?
The InChIKey is BDQRKIYAOICRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2N/c10-7-2-1-6-3-4-13(9(11)12)8(6)5-7/h1-5,9H.
What are the key properties of 6-bromo-1-(difluoromethyl)indole?
6-bromo-1-(difluoromethyl)indole has a molecular weight of 246.05 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(difluoromethyl)indole is sourced from PubChem (CID 91759502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).