1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene

C8H6BrClF2O — CID 167725245

IUPAC1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene
SMILESFC(F)(Cl)Oc1cccc(CBr)c1
InChIInChI=1S/C8H6BrClF2O/c9-5-6-2-1-3-7(4-6)13-8(10,11)12/h1-4H,5H2
InChIKeyBFNUXUXPKJYGNJ-UHFFFAOYSA-N
MW271.49 g/mol
LogP3.75
Rot. Bonds3

About 1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene

1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene (PubChem CID 167725245) has the molecular formula C8H6BrClF2O and a molecular weight of 271.49 g/mol. Its IUPAC name is 1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene
PubChem CID167725245
Molecular FormulaC8H6BrClF2O
Molecular Weight271.49 g/mol
Exact Mass269.93
IUPAC Name1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene
SMILESFC(F)(Cl)Oc1cccc(CBr)c1
InChIInChI=1S/C8H6BrClF2O/c9-5-6-2-1-3-7(4-6)13-8(10,11)12/h1-4H,5H2
InChIKeyBFNUXUXPKJYGNJ-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

2-[3-[chloro(difluoro)methoxy]phenyl]acetonitrile
CID 121234814
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698
1-(bromomethyl)-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 86068630
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
1-(bromomethyl)-3-[4-[3-(bromomethyl)phenoxy]butoxy]benzene
CID 71444905
4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629432
methyl 2-[3-(bromomethyl)phenoxy]-2-methylpropanoate
CID 89252083
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
[3-(bromomethyl)phenyl] carbonochloridate
CID 21386928
[3-(bromomethyl)phenyl] 2,2-difluorobutanoate
CID 91572703
1-(bromomethyl)-3-(1-chloropropoxy)benzene
CID 68763353
[[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite
CID 176550278

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene?
The IUPAC name of 1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene (CID 167725245) is 1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene is FC(F)(Cl)Oc1cccc(CBr)c1.
What is the InChIKey of 1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene?
The InChIKey is BFNUXUXPKJYGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF2O/c9-5-6-2-1-3-7(4-6)13-8(10,11)12/h1-4H,5H2.
What are the key properties of 1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene?
1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene has a molecular weight of 271.49 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene is sourced from PubChem (CID 167725245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).