1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene

C26H19BrF4 — CID 158814146

IUPAC1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene
SMILESCc1cc(-c2ccccc2)c(F)cc1F.Fc1cc(F)c(-c2ccccc2)cc1CBr
InChIInChI=1S/C13H9BrF2.C13H10F2/c14-8-10-6-11(13(16)7-12(10)15)9-4-2-1-3-5-9;1-9-7-11(13(15)8-12(9)14)10-5-3-2-4-6-10/h1-7H,8H2;2-8H,1H3
InChIKeyIVBCHPSQTRYNPS-UHFFFAOYSA-N
MW487.33 g/mol
LogP8.47
Rot. Bonds3

About 1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene

1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene (PubChem CID 158814146) has the molecular formula C26H19BrF4 and a molecular weight of 487.33 g/mol. Its IUPAC name is 1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene
PubChem CID158814146
Molecular FormulaC26H19BrF4
Molecular Weight487.33 g/mol
Exact Mass486.06
IUPAC Name1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene
SMILESCc1cc(-c2ccccc2)c(F)cc1F.Fc1cc(F)c(-c2ccccc2)cc1CBr
InChIInChI=1S/C13H9BrF2.C13H10F2/c14-8-10-6-11(13(16)7-12(10)15)9-4-2-1-3-5-9;1-9-7-11(13(15)8-12(9)14)10-5-3-2-4-6-10/h1-7H,8H2;2-8H,1H3
InChIKeyIVBCHPSQTRYNPS-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.33
LogP ≤ 58.47
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

3-(2,4-difluoro-5-methylphenyl)aniline
CID 79733075
2-(bromomethyl)-4-fluoro-1-phenylbenzene
CID 59789301
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine
CID 79731856
1-(bromomethyl)-5-ethyl-2,4-difluorobenzene
CID 148681980
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
CID 144634978
N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732388
1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene
CID 23542780
1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
CID 152963520
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
ethane;(5-fluoro-2,4-dimethylphenyl)methanol
CID 154686554
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine
CID 79735816

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene?
The IUPAC name of 1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene (CID 158814146) is 1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene.
What is the SMILES notation for 1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene?
The canonical SMILES for 1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene is Cc1cc(-c2ccccc2)c(F)cc1F.Fc1cc(F)c(-c2ccccc2)cc1CBr.
What is the InChIKey of 1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene?
The InChIKey is IVBCHPSQTRYNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2.C13H10F2/c14-8-10-6-11(13(16)7-12(10)15)9-4-2-1-3-5-9;1-9-7-11(13(15)8-12(9)14)10-5-3-2-4-6-10/h1-7H,8H2;2-8H,1H3.
What are the key properties of 1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene?
1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene has a molecular weight of 487.33 g/mol, XLogP of 8.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene is sourced from PubChem (CID 158814146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).