1-(bromomethyl)-4-ethyl-2-fluorobenzene

C9H10BrF — CID 91883092

IUPAC1-(bromomethyl)-4-ethyl-2-fluorobenzene
SMILESCCc1ccc(CBr)c(F)c1
InChIInChI=1S/C9H10BrF/c1-2-7-3-4-8(6-10)9(11)5-7/h3-5H,2,6H2,1H3
InChIKeyHPEUQFDHWGURMJ-UHFFFAOYSA-N
MW217.08 g/mol
LogP3.28
Rot. Bonds2

About 1-(bromomethyl)-4-ethyl-2-fluorobenzene

1-(bromomethyl)-4-ethyl-2-fluorobenzene (PubChem CID 91883092) has the molecular formula C9H10BrF and a molecular weight of 217.08 g/mol. Its IUPAC name is 1-(bromomethyl)-4-ethyl-2-fluorobenzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-ethyl-2-fluorobenzene
PubChem CID91883092
Molecular FormulaC9H10BrF
Molecular Weight217.08 g/mol
Exact Mass215.99
IUPAC Name1-(bromomethyl)-4-ethyl-2-fluorobenzene
SMILESCCc1ccc(CBr)c(F)c1
InChIInChI=1S/C9H10BrF/c1-2-7-3-4-8(6-10)9(11)5-7/h3-5H,2,6H2,1H3
InChIKeyHPEUQFDHWGURMJ-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.08
LogP ≤ 53.28
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

[4-(bromomethyl)-3-fluorophenyl]methanol
CID 72712924
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
1-(bromomethyl)-5-ethyl-2,4-difluorobenzene
CID 148681980
4-(2-bromoethyl)-2-fluoro-1-propylbenzene
CID 19988249
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
2,4-difluoro-1-(2-methylpropyl)benzene;ethane;5-ethyl-1,2,3-trifluorobenzene
CID 156727058
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
1-(4-ethyl-3-fluorophenyl)propan-2-one
CID 118824683
1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine
CID 169387081
1-bromo-3-(5-ethyl-2-fluorophenyl)propan-2-one
CID 134616896
1,4-diethyl-2-methylbenzene;ethane
CID 158451617

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-ethyl-2-fluorobenzene?
The IUPAC name of 1-(bromomethyl)-4-ethyl-2-fluorobenzene (CID 91883092) is 1-(bromomethyl)-4-ethyl-2-fluorobenzene.
What is the SMILES notation for 1-(bromomethyl)-4-ethyl-2-fluorobenzene?
The canonical SMILES for 1-(bromomethyl)-4-ethyl-2-fluorobenzene is CCc1ccc(CBr)c(F)c1.
What is the InChIKey of 1-(bromomethyl)-4-ethyl-2-fluorobenzene?
The InChIKey is HPEUQFDHWGURMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF/c1-2-7-3-4-8(6-10)9(11)5-7/h3-5H,2,6H2,1H3.
What are the key properties of 1-(bromomethyl)-4-ethyl-2-fluorobenzene?
1-(bromomethyl)-4-ethyl-2-fluorobenzene has a molecular weight of 217.08 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-ethyl-2-fluorobenzene is sourced from PubChem (CID 91883092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).