1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene

C8H2Br4F4 — CID 170603228

IUPAC1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene
SMILESFc1c(F)c(C(Br)(Br)Br)c(F)c(F)c1CBr
InChIInChI=1S/C8H2Br4F4/c9-1-2-4(13)6(15)3(8(10,11)12)7(16)5(2)14/h1H2
InChIKeyXINIETGVZIZUGJ-UHFFFAOYSA-N
MW493.71 g/mol
LogP5.43
Rot. Bonds1

About 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene (PubChem CID 170603228) has the molecular formula C8H2Br4F4 and a molecular weight of 493.71 g/mol. Its IUPAC name is 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene
PubChem CID170603228
Molecular FormulaC8H2Br4F4
Molecular Weight493.71 g/mol
Exact Mass489.68
IUPAC Name1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene
SMILESFc1c(F)c(C(Br)(Br)Br)c(F)c(F)c1CBr
InChIInChI=1S/C8H2Br4F4/c9-1-2-4(13)6(15)3(8(10,11)12)7(16)5(2)14/h1H2
InChIKeyXINIETGVZIZUGJ-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.71
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(fluoromethyl)benzene
CID 14423019
[4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]azanium
CID 131875199
1-(bromomethyl)-2,4,6-trifluoro-3,5-dimethylbenzene
CID 146676084
1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene
CID 166444030
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene
CID 134623922
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845186
1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene
CID 134627869
2-(bromomethyl)-1-ethoxy-3,4,5-trifluorobenzene
CID 122361199
bis[2-(bromomethyl)-3,4,5-trifluorophenyl]methanone
CID 139698700
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
2-(bromomethyl)-3-fluoro-4-(trifluoromethyl)aniline
CID 134630714

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene?
The IUPAC name of 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene (CID 170603228) is 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene?
The canonical SMILES for 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene is Fc1c(F)c(C(Br)(Br)Br)c(F)c(F)c1CBr.
What is the InChIKey of 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene?
The InChIKey is XINIETGVZIZUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Br4F4/c9-1-2-4(13)6(15)3(8(10,11)12)7(16)5(2)14/h1H2.
What are the key properties of 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene?
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene has a molecular weight of 493.71 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(tribromomethyl)benzene is sourced from PubChem (CID 170603228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).