1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole

C15H11BrF3N — CID 106269290

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole
SMILESFc1ccc2c(c1)N(Cc1c(F)ccc(Br)c1F)CC2
InChIInChI=1S/C15H11BrF3N/c16-12-3-4-13(18)11(15(12)19)8-20-6-5-9-1-2-10(17)7-14(9)20/h1-4,7H,5-6,8H2
InChIKeyOITHXLURPNDHCZ-UHFFFAOYSA-N
MW342.16 g/mol
LogP4.43
Rot. Bonds2

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole

1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole (PubChem CID 106269290) has the molecular formula C15H11BrF3N and a molecular weight of 342.16 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole
PubChem CID106269290
Molecular FormulaC15H11BrF3N
Molecular Weight342.16 g/mol
Exact Mass341.00
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole
SMILESFc1ccc2c(c1)N(Cc1c(F)ccc(Br)c1F)CC2
InChIInChI=1S/C15H11BrF3N/c16-12-3-4-13(18)11(15(12)19)8-20-6-5-9-1-2-10(17)7-14(9)20/h1-4,7H,5-6,8H2
InChIKeyOITHXLURPNDHCZ-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 106264340
1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine
CID 106264354
1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine
CID 106264339
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103504803
2-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 106268410
2-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 106264362
1-[(3-bromo-2,6-difluorophenyl)methyl]azocan-2-one
CID 106269349
1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501605
5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
CID 103503739
1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 106274018
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 106269330

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole (CID 106269290) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole is Fc1ccc2c(c1)N(Cc1c(F)ccc(Br)c1F)CC2.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole?
The InChIKey is OITHXLURPNDHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3N/c16-12-3-4-13(18)11(15(12)19)8-20-6-5-9-1-2-10(17)7-14(9)20/h1-4,7H,5-6,8H2.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole?
1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole has a molecular weight of 342.16 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole is sourced from PubChem (CID 106269290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).