1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene

C7H4Br2ClF — CID 131574460

IUPAC1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene
SMILESFc1ccc(Br)c(CBr)c1Cl
InChIInChI=1S/C7H4Br2ClF/c8-3-4-5(9)1-2-6(11)7(4)10/h1-2H,3H2
InChIKeyZAHNJVCQJIFAKJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.14
Rot. Bonds1

About 1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene

1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene (PubChem CID 131574460) has the molecular formula C7H4Br2ClF and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene
PubChem CID131574460
Molecular FormulaC7H4Br2ClF
Molecular Weight302.37 g/mol
Exact Mass299.84
IUPAC Name1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene
SMILESFc1ccc(Br)c(CBr)c1Cl
InChIInChI=1S/C7H4Br2ClF/c8-3-4-5(9)1-2-6(11)7(4)10/h1-2H,3H2
InChIKeyZAHNJVCQJIFAKJ-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene
CID 131612949
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
(3-bromo-2-chloro-6-fluorophenyl)methanol
CID 74892834
1-bromo-2-(bromomethyl)-3-fluoro-4-iodobenzene
CID 131331874
(6-bromo-2-chloro-3-fluorophenyl)boronic acid
CID 44558199
1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene
CID 118830415
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
6-bromo-2-chloro-3-fluorobenzoyl chloride
CID 129080978
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644
2-bromo-1,3-dichloro-4-fluorobenzene
CID 19779824
(3-bromo-2-chloro-6-fluorophenyl)methanesulfonic acid
CID 87086597

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene?
The IUPAC name of 1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene (CID 131574460) is 1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene is Fc1ccc(Br)c(CBr)c1Cl.
What is the InChIKey of 1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene?
The InChIKey is ZAHNJVCQJIFAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2ClF/c8-3-4-5(9)1-2-6(11)7(4)10/h1-2H,3H2.
What are the key properties of 1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene?
1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene has a molecular weight of 302.37 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene is sourced from PubChem (CID 131574460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).