1-(bromomethyl)-5-ethyl-2,4-difluorobenzene

C9H9BrF2 — CID 148681980

IUPAC1-(bromomethyl)-5-ethyl-2,4-difluorobenzene
SMILESCCc1cc(CBr)c(F)cc1F
InChIInChI=1S/C9H9BrF2/c1-2-6-3-7(5-10)9(12)4-8(6)11/h3-4H,2,5H2,1H3
InChIKeyNRUHQVXRPIDJGB-UHFFFAOYSA-N
MW235.07 g/mol
LogP3.42
Rot. Bonds2

About 1-(bromomethyl)-5-ethyl-2,4-difluorobenzene

1-(bromomethyl)-5-ethyl-2,4-difluorobenzene (PubChem CID 148681980) has the molecular formula C9H9BrF2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 1-(bromomethyl)-5-ethyl-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(bromomethyl)-5-ethyl-2,4-difluorobenzene
PubChem CID148681980
Molecular FormulaC9H9BrF2
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name1-(bromomethyl)-5-ethyl-2,4-difluorobenzene
SMILESCCc1cc(CBr)c(F)cc1F
InChIInChI=1S/C9H9BrF2/c1-2-6-3-7(5-10)9(12)4-8(6)11/h3-4H,2,5H2,1H3
InChIKeyNRUHQVXRPIDJGB-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 53.42
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

2-(5-ethyl-2,4-difluorophenyl)acetic acid
CID 117289054
1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
CID 152963520
1-(bromomethyl)-4-ethyl-2-fluorobenzene
CID 91883092
5-(bromomethyl)-2,4-difluorobenzoic acid
CID 66524399
1-(bromomethyl)-2,4-difluoro-5-(trifluoromethyl)benzene
CID 122237187
(5-ethyl-4-fluoro-2-methylphenyl)methanol
CID 117276635
1-(bromomethyl)-2,5-difluoro-4-iodobenzene
CID 131263553
1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene
CID 158814146
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
3-(bromomethyl)-4-fluorobenzaldehyde;ethane
CID 145351644

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-5-ethyl-2,4-difluorobenzene?
The IUPAC name of 1-(bromomethyl)-5-ethyl-2,4-difluorobenzene (CID 148681980) is 1-(bromomethyl)-5-ethyl-2,4-difluorobenzene.
What is the SMILES notation for 1-(bromomethyl)-5-ethyl-2,4-difluorobenzene?
The canonical SMILES for 1-(bromomethyl)-5-ethyl-2,4-difluorobenzene is CCc1cc(CBr)c(F)cc1F.
What is the InChIKey of 1-(bromomethyl)-5-ethyl-2,4-difluorobenzene?
The InChIKey is NRUHQVXRPIDJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2/c1-2-6-3-7(5-10)9(12)4-8(6)11/h3-4H,2,5H2,1H3.
What are the key properties of 1-(bromomethyl)-5-ethyl-2,4-difluorobenzene?
1-(bromomethyl)-5-ethyl-2,4-difluorobenzene has a molecular weight of 235.07 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-5-ethyl-2,4-difluorobenzene is sourced from PubChem (CID 148681980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).