7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole

C9H8BrF2N — CID 84706369

IUPAC7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)C1Cc2cccc(Br)c2N1
InChIInChI=1S/C9H8BrF2N/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-3,7,9,13H,4H2
InChIKeyYGASEOLZIFVAOI-UHFFFAOYSA-N
MW248.07 g/mol
LogP3.05
Rot. Bonds1

About 7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole

7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 84706369) has the molecular formula C9H8BrF2N and a molecular weight of 248.07 g/mol. Its IUPAC name is 7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole
PubChem CID84706369
Molecular FormulaC9H8BrF2N
Molecular Weight248.07 g/mol
Exact Mass246.98
IUPAC Name7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)C1Cc2cccc(Br)c2N1
InChIInChI=1S/C9H8BrF2N/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-3,7,9,13H,4H2
InChIKeyYGASEOLZIFVAOI-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole
CID 84660863
8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589758
7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706366
CID 140807044
CID 140807044
2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
CID 84635560
8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole
CID 146341834
1-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylmethanamine
CID 84635562
5-bromo-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84644763
8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589764
8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline
CID 84728816
2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol
CID 83860690
N-(2,6-dibromophenyl)-2,3-dihydro-1H-inden-2-amine
CID 107597685

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole (CID 84706369) is 7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole is FC(F)C1Cc2cccc(Br)c2N1.
What is the InChIKey of 7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is YGASEOLZIFVAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-3,7,9,13H,4H2.
What are the key properties of 7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole?
7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 248.07 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 84706369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).