2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene

C8H6BrClF2O — CID 3406151

IUPAC2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccc(Cl)cc1CBr
InChIInChI=1S/C8H6BrClF2O/c9-4-5-3-6(10)1-2-7(5)13-8(11)12/h1-3,8H,4H2
InChIKeyLCYMNTIAZDUPTP-UHFFFAOYSA-N
MW271.49 g/mol
LogP3.84
Rot. Bonds3

About 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene

2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene (PubChem CID 3406151) has the molecular formula C8H6BrClF2O and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene
PubChem CID3406151
Molecular FormulaC8H6BrClF2O
Molecular Weight271.49 g/mol
Exact Mass269.93
IUPAC Name2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccc(Cl)cc1CBr
InChIInChI=1S/C8H6BrClF2O/c9-4-5-3-6(10)1-2-7(5)13-8(11)12/h1-3,8H,4H2
InChIKeyLCYMNTIAZDUPTP-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-2-methylanisole
CID 76748
1-(2-Bromoethoxy)-4-chloro-2-methylbenzene
CID 24707923
1-(Bromomethyl)-2-(difluoromethoxy)benzene
CID 2736998
2-(Bromomethyl)-4-chloro-1-methoxybenzene
CID 15462812
4-Chloro-2-ethynyl-1-methoxybenzene
CID 23260703
4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene
CID 2773849
2-(Trifluoromethoxy)benzyl bromide
CID 2777254
1-(Bromomethyl)-3-chloro-5-(trifluoromethoxy)benzene
CID 17750739
6-Chloro-2-fluoro-3-methoxybenzyl bromide
CID 3817232
2-(Bromomethyl)-1-chloro-4-methoxybenzene
CID 12484533
1-(Chloromethyl)-2-(difluoromethoxy)benzene
CID 16227576
2-(Bromomethyl)-1-chloro-3-methoxybenzene
CID 22327443

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene?
The IUPAC name of 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene (CID 3406151) is 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene?
The canonical SMILES for 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene is FC(F)Oc1ccc(Cl)cc1CBr.
What is the InChIKey of 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene?
The InChIKey is LCYMNTIAZDUPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF2O/c9-4-5-3-6(10)1-2-7(5)13-8(11)12/h1-3,8H,4H2.
What are the key properties of 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene?
2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene has a molecular weight of 271.49 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene is sourced from PubChem (CID 3406151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).