1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene

C14H6Br8F2 — CID 91295525

IUPAC1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene
SMILESCc1c(Br)c(Br)c(F)c(Br)c1Br.FCc1c(Br)cc(Br)c(Br)c1Br
InChIInChI=1S/2C7H3Br4F/c8-4-1-5(9)7(11)6(10)3(4)2-12;1-2-3(8)5(10)7(12)6(11)4(2)9/h1H,2H2;1H3
InChIKeyDRYXXQWLJRBYHQ-UHFFFAOYSA-N
MW851.43 g/mol
LogP10.39
Rot. Bonds1

About 1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene

1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene (PubChem CID 91295525) has the molecular formula C14H6Br8F2 and a molecular weight of 851.43 g/mol. Its IUPAC name is 1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene.

Molecular Properties

Compound Name1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene
PubChem CID91295525
Molecular FormulaC14H6Br8F2
Molecular Weight851.43 g/mol
Exact Mass843.39
IUPAC Name1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene
SMILESCc1c(Br)c(Br)c(F)c(Br)c1Br.FCc1c(Br)cc(Br)c(Br)c1Br
InChIInChI=1S/2C7H3Br4F/c8-4-1-5(9)7(11)6(10)3(4)2-12;1-2-3(8)5(10)7(12)6(11)4(2)9/h1H,2H2;1H3
InChIKeyDRYXXQWLJRBYHQ-UHFFFAOYSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.43
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,3-dibromo-2-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene
CID 90857577
1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene
CID 131214209
1,3,4-tribromo-5-fluoro-2-methylbenzene;1,3,5-tribromo-2-(fluoromethyl)benzene
CID 91412854
1,4-dibromo-3,5-difluoro-2-(fluoromethyl)benzene
CID 118836051
1,2,4,5-tetrafluoro-3-(fluoromethyl)-6-methylbenzene
CID 14423018
1,2,4,5-tetrabromo-3-methyl-6-[2-(2,3,5-tribromo-4-methylphenyl)ethyl]benzene
CID 87753356
3,4,6-tribromo-2-methylaniline
CID 164893724
1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene
CID 118824651
2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene
CID 91311747
4-bromo-2,6-difluoro-3-methylaniline
CID 57493956
5-bromo-2,4-difluoro-3-methylbenzoic acid
CID 59875256
1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene
CID 90853447

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene?
The IUPAC name of 1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene (CID 91295525) is 1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene.
What is the SMILES notation for 1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene?
The canonical SMILES for 1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene is Cc1c(Br)c(Br)c(F)c(Br)c1Br.FCc1c(Br)cc(Br)c(Br)c1Br.
What is the InChIKey of 1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene?
The InChIKey is DRYXXQWLJRBYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H3Br4F/c8-4-1-5(9)7(11)6(10)3(4)2-12;1-2-3(8)5(10)7(12)6(11)4(2)9/h1H,2H2;1H3.
What are the key properties of 1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene?
1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene has a molecular weight of 851.43 g/mol, XLogP of 10.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene is sourced from PubChem (CID 91295525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).