1-(bromomethyl)-2-chloro-3-fluorobenzene

C7H5BrClF — CID 44782644

IUPAC1-(bromomethyl)-2-chloro-3-fluorobenzene
SMILESFc1cccc(CBr)c1Cl
InChIInChI=1S/C7H5BrClF/c8-4-5-2-1-3-6(10)7(5)9/h1-3H,4H2
InChIKeyAQQPRCFCKCXWGZ-UHFFFAOYSA-N
MW223.47 g/mol
LogP3.37
Rot. Bonds1

About 1-(bromomethyl)-2-chloro-3-fluorobenzene

1-(bromomethyl)-2-chloro-3-fluorobenzene (PubChem CID 44782644) has the molecular formula C7H5BrClF and a molecular weight of 223.47 g/mol. Its IUPAC name is 1-(bromomethyl)-2-chloro-3-fluorobenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-chloro-3-fluorobenzene
PubChem CID44782644
Molecular FormulaC7H5BrClF
Molecular Weight223.47 g/mol
Exact Mass221.92
IUPAC Name1-(bromomethyl)-2-chloro-3-fluorobenzene
SMILESFc1cccc(CBr)c1Cl
InChIInChI=1S/C7H5BrClF/c8-4-5-2-1-3-6(10)7(5)9/h1-3H,4H2
InChIKeyAQQPRCFCKCXWGZ-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.47
LogP ≤ 53.37
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

1,3-bis(bromomethyl)-2-chlorobenzene
CID 612956
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
(2-chloro-3-fluorophenyl)methanethiol
CID 112652262
2-chloro-1-(2-chloroethyl)-3-fluorobenzene
CID 126973948
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
2-(bromomethyl)-6-fluorophenol
CID 86086661
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
3-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112653213
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
1-[3-bromo-2-(4-bromophenyl)propyl]-2-chloro-3-fluorobenzene
CID 112654920
1-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-2-chloro-3-fluorobenzene
CID 115984618
1-(2-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 112652607

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-chloro-3-fluorobenzene?
The IUPAC name of 1-(bromomethyl)-2-chloro-3-fluorobenzene (CID 44782644) is 1-(bromomethyl)-2-chloro-3-fluorobenzene.
What is the SMILES notation for 1-(bromomethyl)-2-chloro-3-fluorobenzene?
The canonical SMILES for 1-(bromomethyl)-2-chloro-3-fluorobenzene is Fc1cccc(CBr)c1Cl.
What is the InChIKey of 1-(bromomethyl)-2-chloro-3-fluorobenzene?
The InChIKey is AQQPRCFCKCXWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF/c8-4-5-2-1-3-6(10)7(5)9/h1-3H,4H2.
What are the key properties of 1-(bromomethyl)-2-chloro-3-fluorobenzene?
1-(bromomethyl)-2-chloro-3-fluorobenzene has a molecular weight of 223.47 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-chloro-3-fluorobenzene is sourced from PubChem (CID 44782644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).