5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene

C16H13BrF2 — CID 55198009

IUPAC5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESFc1cccc(C(Br)c2ccc3c(c2)CCC3)c1F
InChIInChI=1S/C16H13BrF2/c17-15(13-5-2-6-14(18)16(13)19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9,15H,1,3-4H2
InChIKeyLUBIOCZFAWEOHJ-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.94
Rot. Bonds2

About 5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene

5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 55198009) has the molecular formula C16H13BrF2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID55198009
Molecular FormulaC16H13BrF2
Molecular Weight323.18 g/mol
Exact Mass322.02
IUPAC Name5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESFc1cccc(C(Br)c2ccc3c(c2)CCC3)c1F
InChIInChI=1S/C16H13BrF2/c17-15(13-5-2-6-14(18)16(13)19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9,15H,1,3-4H2
InChIKeyLUBIOCZFAWEOHJ-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene 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

5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63440400
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439442
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579
5-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63441578
5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440661
6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107957814
6-[bromo-(4-bromo-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439086
5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63440957
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65297158
(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115569

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene (CID 55198009) is 5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene is Fc1cccc(C(Br)c2ccc3c(c2)CCC3)c1F.
What is the InChIKey of 5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is LUBIOCZFAWEOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2/c17-15(13-5-2-6-14(18)16(13)19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9,15H,1,3-4H2.
What are the key properties of 5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene?
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 323.18 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 55198009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).