4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene

C14H12Br2F2 — CID 160825147

IUPAC4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene
SMILESCc1cc(Br)ccc1F.Cc1ccc(Br)cc1F
InChIInChI=1S/2C7H6BrF/c1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)4-7(5)9/h2*2-4H,1H3
InChIKeySGBFAJURNAQRLS-UHFFFAOYSA-N
MW378.05 g/mol
LogP5.79
Rot. Bonds

About 4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene

4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene (PubChem CID 160825147) has the molecular formula C14H12Br2F2 and a molecular weight of 378.05 g/mol. Its IUPAC name is 4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene
PubChem CID160825147
Molecular FormulaC14H12Br2F2
Molecular Weight378.05 g/mol
Exact Mass375.93
IUPAC Name4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene
SMILESCc1cc(Br)ccc1F.Cc1ccc(Br)cc1F
InChIInChI=1S/2C7H6BrF/c1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)4-7(5)9/h2*2-4H,1H3
InChIKeySGBFAJURNAQRLS-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.05
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-1,2-difluorobenzene;5-bromo-1,2-difluoro-3-methylbenzene
CID 160943095
1-bromo-3-chloro-5-methylbenzene;4-bromo-1-fluoro-2-methylbenzene
CID 142310411
4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
CID 79747238
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
4-bromo-1,2-difluorobenzene;dihydrofluoride
CID 174492303
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55194295
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
CID 82964329
1-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methylphenyl)-N-methylmethanamine
CID 105011744
4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79746903
2,5-dibromo-1-fluoro-3-methylbenzene
CID 56604211
2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 55096088

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene?
The IUPAC name of 4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene (CID 160825147) is 4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene is Cc1cc(Br)ccc1F.Cc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene?
The InChIKey is SGBFAJURNAQRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6BrF/c1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)4-7(5)9/h2*2-4H,1H3.
What are the key properties of 4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene?
4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene has a molecular weight of 378.05 g/mol, XLogP of 5.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene is sourced from PubChem (CID 160825147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).