1-(2-bromoethyl)-4-fluoro-2-methylbenzene

C9H10BrF — CID 62802439

IUPAC1-(2-bromoethyl)-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1CCBr
InChIInChI=1S/C9H10BrF/c1-7-6-9(11)3-2-8(7)4-5-10/h2-3,6H,4-5H2,1H3
InChIKeyXWBYCSWCHARTQP-UHFFFAOYSA-N
MW217.08 g/mol
LogP3.07
Rot. Bonds2

About 1-(2-bromoethyl)-4-fluoro-2-methylbenzene

1-(2-bromoethyl)-4-fluoro-2-methylbenzene (PubChem CID 62802439) has the molecular formula C9H10BrF and a molecular weight of 217.08 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-fluoro-2-methylbenzene
PubChem CID62802439
Molecular FormulaC9H10BrF
Molecular Weight217.08 g/mol
Exact Mass215.99
IUPAC Name1-(2-bromoethyl)-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1CCBr
InChIInChI=1S/C9H10BrF/c1-7-6-9(11)3-2-8(7)4-5-10/h2-3,6H,4-5H2,1H3
InChIKeyXWBYCSWCHARTQP-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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

ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
4-fluoro-2-methyl-1-pentylbenzene
CID 57094925
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
1-(3-bromo-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 64671392
4-(4-fluoro-2-methylphenyl)butan-1-ol
CID 54363918
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
1-[2-(bromomethyl)-3-methylbutyl]-4-fluoro-2-methylbenzene
CID 114349908
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
5-(4-fluoro-2-methylphenyl)pentan-2-amine
CID 114349377
N-(2-bromoethyl)-2,2-difluoro-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 107487560
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-fluoro-2-methylbenzene?
The IUPAC name of 1-(2-bromoethyl)-4-fluoro-2-methylbenzene (CID 62802439) is 1-(2-bromoethyl)-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-(2-bromoethyl)-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-(2-bromoethyl)-4-fluoro-2-methylbenzene is Cc1cc(F)ccc1CCBr.
What is the InChIKey of 1-(2-bromoethyl)-4-fluoro-2-methylbenzene?
The InChIKey is XWBYCSWCHARTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF/c1-7-6-9(11)3-2-8(7)4-5-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-bromoethyl)-4-fluoro-2-methylbenzene?
1-(2-bromoethyl)-4-fluoro-2-methylbenzene has a molecular weight of 217.08 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-fluoro-2-methylbenzene is sourced from PubChem (CID 62802439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).