1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene

C10H11BrF2 — CID 152963520

IUPAC1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
SMILESCC(C)c1cc(CBr)c(F)cc1F
InChIInChI=1S/C10H11BrF2/c1-6(2)8-3-7(5-11)9(12)4-10(8)13/h3-4,6H,5H2,1-2H3
InChIKeyURBAXLULZIYFED-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.98
Rot. Bonds2

About 1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene

1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene (PubChem CID 152963520) has the molecular formula C10H11BrF2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
PubChem CID152963520
Molecular FormulaC10H11BrF2
Molecular Weight249.10 g/mol
Exact Mass248.00
IUPAC Name1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
SMILESCC(C)c1cc(CBr)c(F)cc1F
InChIInChI=1S/C10H11BrF2/c1-6(2)8-3-7(5-11)9(12)4-10(8)13/h3-4,6H,5H2,1-2H3
InChIKeyURBAXLULZIYFED-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine
CID 117289934
4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327284
1-(bromomethyl)-5-ethyl-2,4-difluorobenzene
CID 148681980
3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117357572
2-amino-3-(2,4-difluoro-5-propan-2-ylphenyl)propanoic acid
CID 117359429
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288733
1-bromo-2,5-difluoro-4-propan-2-ylbenzene
CID 58333577
1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene
CID 71055564
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 117297798
1-(bromomethyl)-2,4-difluoro-5-(trifluoromethyl)benzene
CID 122237187
3-(2,4-difluoro-5-propan-2-ylphenyl)butanal
CID 117325497
ethane;4-fluoro-2-methyl-5-propan-2-ylphenol
CID 145193990

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene?
The IUPAC name of 1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene (CID 152963520) is 1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene.
What is the SMILES notation for 1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene?
The canonical SMILES for 1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene is CC(C)c1cc(CBr)c(F)cc1F.
What is the InChIKey of 1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene?
The InChIKey is URBAXLULZIYFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2/c1-6(2)8-3-7(5-11)9(12)4-10(8)13/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene?
1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene has a molecular weight of 249.10 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene is sourced from PubChem (CID 152963520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).