5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene

C14H10Br2F2 — CID 139192446

IUPAC5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene
SMILESFc1cc(Br)cc(F)c1CCc1ccc(Br)cc1
InChIInChI=1S/C14H10Br2F2/c15-10-4-1-9(2-5-10)3-6-12-13(17)7-11(16)8-14(12)18/h1-2,4-5,7-8H,3,6H2
InChIKeyNOLYEMCPPZBWGZ-UHFFFAOYSA-N
MW376.04 g/mol
LogP5.28
Rot. Bonds3

About 5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene

5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene (PubChem CID 139192446) has the molecular formula C14H10Br2F2 and a molecular weight of 376.04 g/mol. Its IUPAC name is 5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene
PubChem CID139192446
Molecular FormulaC14H10Br2F2
Molecular Weight376.04 g/mol
Exact Mass373.91
IUPAC Name5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene
SMILESFc1cc(Br)cc(F)c1CCc1ccc(Br)cc1
InChIInChI=1S/C14H10Br2F2/c15-10-4-1-9(2-5-10)3-6-12-13(17)7-11(16)8-14(12)18/h1-2,4-5,7-8H,3,6H2
InChIKeyNOLYEMCPPZBWGZ-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.04
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene 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-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene
CID 135206571
5-bromo-1,3-difluoro-2-octylbenzene
CID 167507433
2-chloro-5-[2-[2,6-difluoro-4-[2-(4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758596
2-chloro-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758575
3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine
CID 170865550
(4-bromo-2,6-difluorophenyl)methanamine;hydrochloride
CID 73012230
4-bromo-2-fluoro-1-(4-propylphenyl)benzene
CID 22717506
5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene
CID 58807411
2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
CID 139758592
10-(4-bromophenyl)decan-1-amine
CID 70564089
3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine
CID 121269348

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene?
The IUPAC name of 5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene (CID 139192446) is 5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene.
What is the SMILES notation for 5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene?
The canonical SMILES for 5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene is Fc1cc(Br)cc(F)c1CCc1ccc(Br)cc1.
What is the InChIKey of 5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene?
The InChIKey is NOLYEMCPPZBWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F2/c15-10-4-1-9(2-5-10)3-6-12-13(17)7-11(16)8-14(12)18/h1-2,4-5,7-8H,3,6H2.
What are the key properties of 5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene?
5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene has a molecular weight of 376.04 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene is sourced from PubChem (CID 139192446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).