2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene

C16H12BrF3 — CID 172603248

IUPAC2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
SMILESFC(F)(F)c1ccc2c(c1)CC(c1cccc(Br)c1)C2
InChIInChI=1S/C16H12BrF3/c17-15-3-1-2-10(9-15)12-6-11-4-5-14(16(18,19)20)8-13(11)7-12/h1-5,8-9,12H,6-7H2
InChIKeyVMJLWYPRVWECHI-UHFFFAOYSA-N
MW341.17 g/mol
LogP5.35
Rot. Bonds1

About 2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene

2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene (PubChem CID 172603248) has the molecular formula C16H12BrF3 and a molecular weight of 341.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
PubChem CID172603248
Molecular FormulaC16H12BrF3
Molecular Weight341.17 g/mol
Exact Mass340.01
IUPAC Name2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
SMILESFC(F)(F)c1ccc2c(c1)CC(c1cccc(Br)c1)C2
InChIInChI=1S/C16H12BrF3/c17-15-3-1-2-10(9-15)12-6-11-4-5-14(16(18,19)20)8-13(11)7-12/h1-5,8-9,12H,6-7H2
InChIKeyVMJLWYPRVWECHI-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.17
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-4-methyl-6-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]pyridine
CID 172602822
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
7-(3-bromophenyl)-9-[4-(trifluoromethyl)phenyl]sulfonyl-9-azabicyclo[3.3.1]nonan-3-one
CID 67303216
[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 115029003
2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162490775
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 86246481
5-(3-bromophenyl)-2-(hydroxymethylidene)cyclohexane-1,3-dione
CID 146459449
2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 163458109
2-[2-bromo-4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene
CID 174833805

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene?
The IUPAC name of 2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene (CID 172603248) is 2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene is FC(F)(F)c1ccc2c(c1)CC(c1cccc(Br)c1)C2.
What is the InChIKey of 2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene?
The InChIKey is VMJLWYPRVWECHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3/c17-15-3-1-2-10(9-15)12-6-11-4-5-14(16(18,19)20)8-13(11)7-12/h1-5,8-9,12H,6-7H2.
What are the key properties of 2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene?
2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene has a molecular weight of 341.17 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 172603248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).