1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene

C14H10Br4F2 — CID 90853447

IUPAC1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene
SMILESCc1c(Br)cc(F)cc1Br.FCc1cccc(Br)c1Br
InChIInChI=1S/2C7H5Br2F/c1-4-6(8)2-5(10)3-7(4)9;8-6-3-1-2-5(4-10)7(6)9/h2-3H,1H3;1-3H,4H2
InChIKeyNUZVAYPEWSJLHQ-UHFFFAOYSA-N
MW535.85 g/mol
LogP7.34
Rot. Bonds1

About 1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene

1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene (PubChem CID 90853447) has the molecular formula C14H10Br4F2 and a molecular weight of 535.85 g/mol. Its IUPAC name is 1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene
PubChem CID90853447
Molecular FormulaC14H10Br4F2
Molecular Weight535.85 g/mol
Exact Mass531.75
IUPAC Name1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene
SMILESCc1c(Br)cc(F)cc1Br.FCc1cccc(Br)c1Br
InChIInChI=1S/2C7H5Br2F/c1-4-6(8)2-5(10)3-7(4)9;8-6-3-1-2-5(4-10)7(6)9/h2-3H,1H3;1-3H,4H2
InChIKeyNUZVAYPEWSJLHQ-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.85
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-4-fluoro-1-methylbenzene;1,2-dibromo-3-(fluoromethyl)benzene
CID 91301407
1,3-dibromo-2-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene
CID 90857577
1,2-dibromo-3-ethyl-5-fluorobenzene
CID 118830275
1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442
1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene
CID 118824651
3-[(2-bromo-4-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 154647942
1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene
CID 160512672
1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 117404058
[2-bromo-3-(fluoromethyl)phenyl]hydrazine
CID 118824418
3-bromo-5-fluoro-2-methylphenol;ethane
CID 156879236
2-(3-bromo-5-fluoro-2-methylphenyl)-1-(4-tert-butylphenyl)ethanone
CID 158971533
2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene
CID 118830363

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene?
The IUPAC name of 1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene (CID 90853447) is 1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene.
What is the SMILES notation for 1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene?
The canonical SMILES for 1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene is Cc1c(Br)cc(F)cc1Br.FCc1cccc(Br)c1Br.
What is the InChIKey of 1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene?
The InChIKey is NUZVAYPEWSJLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5Br2F/c1-4-6(8)2-5(10)3-7(4)9;8-6-3-1-2-5(4-10)7(6)9/h2-3H,1H3;1-3H,4H2.
What are the key properties of 1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene?
1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene has a molecular weight of 535.85 g/mol, XLogP of 7.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene is sourced from PubChem (CID 90853447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).