4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene

C13H8Br2F2 — CID 55199317

IUPAC4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene
SMILESFc1ccc(C(Br)c2ccc(Br)cc2)cc1F
InChIInChI=1S/C13H8Br2F2/c14-10-4-1-8(2-5-10)13(15)9-3-6-11(16)12(17)7-9/h1-7,13H
InChIKeyJCHALEVFVPILGA-UHFFFAOYSA-N
MW362.01 g/mol
LogP5.21
Rot. Bonds2

About 4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene

4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene (PubChem CID 55199317) has the molecular formula C13H8Br2F2 and a molecular weight of 362.01 g/mol. Its IUPAC name is 4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene
PubChem CID55199317
Molecular FormulaC13H8Br2F2
Molecular Weight362.01 g/mol
Exact Mass359.90
IUPAC Name4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene
SMILESFc1ccc(C(Br)c2ccc(Br)cc2)cc1F
InChIInChI=1S/C13H8Br2F2/c14-10-4-1-8(2-5-10)13(15)9-3-6-11(16)12(17)7-9/h1-7,13H
InChIKeyJCHALEVFVPILGA-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.01
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
4-[bromo-(4-propan-2-yloxyphenyl)methyl]-1,2-difluorobenzene
CID 63441119
4-[bromo-[4-(trifluoromethoxy)phenyl]methyl]-1,2-difluorobenzene
CID 116629157
4-bromo-1,2-difluorobenzene;dihydrofluoride
CID 174492303
2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene
CID 115354335
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612
2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran
CID 106689080
2-bromo-1-[bromo-(3,4-difluorophenyl)methyl]-4-chlorobenzene
CID 114024911
2,3-dibromo-5-[bromo-(3,4-difluorophenyl)methyl]thiophene
CID 80534322
6-[bromo-(3,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61096293
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene
CID 63437045

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene?
The IUPAC name of 4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene (CID 55199317) is 4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene is Fc1ccc(C(Br)c2ccc(Br)cc2)cc1F.
What is the InChIKey of 4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene?
The InChIKey is JCHALEVFVPILGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F2/c14-10-4-1-8(2-5-10)13(15)9-3-6-11(16)12(17)7-9/h1-7,13H.
What are the key properties of 4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene?
4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene has a molecular weight of 362.01 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene is sourced from PubChem (CID 55199317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).