2,4-difluoro-1-methylbenzene;hydrobromide

C7H7BrF2 — CID 174767043

IUPAC2,4-difluoro-1-methylbenzene;hydrobromide
SMILESBr.Cc1ccc(F)cc1F
InChIInChI=1S/C7H6F2.BrH/c1-5-2-3-6(8)4-7(5)9;/h2-4H,1H3;1H
InChIKeyIPMZOHRTXMRXIW-UHFFFAOYSA-N
MW209.03 g/mol
LogP2.85
Rot. Bonds

About 2,4-difluoro-1-methylbenzene;hydrobromide

2,4-difluoro-1-methylbenzene;hydrobromide (PubChem CID 174767043) has the molecular formula C7H7BrF2 and a molecular weight of 209.03 g/mol. Its IUPAC name is 2,4-difluoro-1-methylbenzene;hydrobromide.

Molecular Properties

Compound Name2,4-difluoro-1-methylbenzene;hydrobromide
PubChem CID174767043
Molecular FormulaC7H7BrF2
Molecular Weight209.03 g/mol
Exact Mass207.97
IUPAC Name2,4-difluoro-1-methylbenzene;hydrobromide
SMILESBr.Cc1ccc(F)cc1F
InChIInChI=1S/C7H6F2.BrH/c1-5-2-3-6(8)4-7(5)9;/h2-4H,1H3;1H
InChIKeyIPMZOHRTXMRXIW-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene
CID 143759785
2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane
CID 142010079
2,4-difluoro-1-methylbenzene;ethane;pentylphosphane
CID 145391519
cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,4-difluoro-1-methylbenzene;ethane;methylcyclopropane
CID 158120114
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63434008
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
CID 59347030
CID 59347030
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
5-fluoro-2-methylphenol
CID 2774616
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-methylbenzene;hydrobromide?
The IUPAC name of 2,4-difluoro-1-methylbenzene;hydrobromide (CID 174767043) is 2,4-difluoro-1-methylbenzene;hydrobromide.
What is the SMILES notation for 2,4-difluoro-1-methylbenzene;hydrobromide?
The canonical SMILES for 2,4-difluoro-1-methylbenzene;hydrobromide is Br.Cc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-methylbenzene;hydrobromide?
The InChIKey is IPMZOHRTXMRXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2.BrH/c1-5-2-3-6(8)4-7(5)9;/h2-4H,1H3;1H.
What are the key properties of 2,4-difluoro-1-methylbenzene;hydrobromide?
2,4-difluoro-1-methylbenzene;hydrobromide has a molecular weight of 209.03 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-methylbenzene;hydrobromide is sourced from PubChem (CID 174767043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).