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

C9H8BrF2N — CID 84706366

IUPAC7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)C1CNc2c(Br)cccc21
InChIInChI=1S/C9H8BrF2N/c10-7-3-1-2-5-6(9(11)12)4-13-8(5)7/h1-3,6,9,13H,4H2
InChIKeyFBHXUXIPADFISU-UHFFFAOYSA-N
MW248.07 g/mol
LogP3.22
Rot. Bonds1

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

7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 84706366) has the molecular formula C9H8BrF2N and a molecular weight of 248.07 g/mol. Its IUPAC name is 7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
PubChem CID84706366
Molecular FormulaC9H8BrF2N
Molecular Weight248.07 g/mol
Exact Mass246.98
IUPAC Name7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)C1CNc2c(Br)cccc21
InChIInChI=1S/C9H8BrF2N/c10-7-3-1-2-5-6(9(11)12)4-13-8(5)7/h1-3,6,9,13H,4H2
InChIKeyFBHXUXIPADFISU-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84671899
3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
CID 84668692
(1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
CID 124676964
7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986374
5-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706364
6-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 115098315
5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
CID 130577854
7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706369
methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate
CID 115050329
(3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole
CID 95430864
7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole
CID 106985918
4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
CID 84640424

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole (CID 84706366) is 7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole is FC(F)C1CNc2c(Br)cccc21.
What is the InChIKey of 7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is FBHXUXIPADFISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N/c10-7-3-1-2-5-6(9(11)12)4-13-8(5)7/h1-3,6,9,13H,4H2.
What are the key properties of 7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole?
7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 248.07 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 84706366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).