1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene

C7H4BrCl2F — CID 131587303

IUPAC1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene
SMILESFc1cc(Cl)cc(Br)c1CCl
InChIInChI=1S/C7H4BrCl2F/c8-6-1-4(10)2-7(11)5(6)3-9/h1-2H,3H2
InChIKeyRSKIHHIMXWKIRF-UHFFFAOYSA-N
MW257.92 g/mol
LogP3.98
Rot. Bonds1

About 1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene

1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene (PubChem CID 131587303) has the molecular formula C7H4BrCl2F and a molecular weight of 257.92 g/mol. Its IUPAC name is 1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene
PubChem CID131587303
Molecular FormulaC7H4BrCl2F
Molecular Weight257.92 g/mol
Exact Mass255.89
IUPAC Name1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene
SMILESFc1cc(Cl)cc(Br)c1CCl
InChIInChI=1S/C7H4BrCl2F/c8-6-1-4(10)2-7(11)5(6)3-9/h1-2H,3H2
InChIKeyRSKIHHIMXWKIRF-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.92
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

N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine
CID 84804789
5-chloro-1,3-difluoro-2-(fluoromethyl)benzene
CID 130776716
2-bromo-5-chloro-1,3-difluorobenzene
CID 2761407
(6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine
CID 170961562
1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039
1,5-dibromo-3-chloro-2-(chloromethyl)benzene
CID 171009724
methyl 3-bromo-5-chloro-2-(chloromethyl)benzoate
CID 171024307
2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride
CID 50998006
1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene
CID 171005765
(2,4-dichloro-6-fluorophenyl)methanol
CID 118642652
3-(2-bromo-4-chloro-6-fluorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170807288
2-bromo-4-chloro-6-(chloromethyl)aniline
CID 149367160

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene?
The IUPAC name of 1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene (CID 131587303) is 1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene.
What is the SMILES notation for 1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene?
The canonical SMILES for 1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene is Fc1cc(Cl)cc(Br)c1CCl.
What is the InChIKey of 1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene?
The InChIKey is RSKIHHIMXWKIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrCl2F/c8-6-1-4(10)2-7(11)5(6)3-9/h1-2H,3H2.
What are the key properties of 1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene?
1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene has a molecular weight of 257.92 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene is sourced from PubChem (CID 131587303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).