2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene

C7H3BrCl2F2O — CID 171032891

IUPAC2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene
SMILESFC(F)Oc1cc(Cl)c(Br)c(Cl)c1
InChIInChI=1S/C7H3BrCl2F2O/c8-6-4(9)1-3(2-5(6)10)13-7(11)12/h1-2,7H
InChIKeyYDWJGUXXLWDAPJ-UHFFFAOYSA-N
MW291.91 g/mol
LogP4.36
Rot. Bonds2

About 2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene

2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene (PubChem CID 171032891) has the molecular formula C7H3BrCl2F2O and a molecular weight of 291.91 g/mol. Its IUPAC name is 2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene
PubChem CID171032891
Molecular FormulaC7H3BrCl2F2O
Molecular Weight291.91 g/mol
Exact Mass289.87
IUPAC Name2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene
SMILESFC(F)Oc1cc(Cl)c(Br)c(Cl)c1
InChIInChI=1S/C7H3BrCl2F2O/c8-6-4(9)1-3(2-5(6)10)13-7(11)12/h1-2,7H
InChIKeyYDWJGUXXLWDAPJ-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.91
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone
CID 121228158
1-chloro-3-(difluoromethoxy)naphthalene
CID 118805249
4-bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
1,3,5-trichloro-2-[2-chloro-4-(difluoromethoxy)phenyl]benzene
CID 134627689
3-bromo-5-(difluoromethoxy)benzenethiol
CID 121227931
2-chloro-5-(difluoromethoxy)benzenethiol
CID 119002966
1,2-dibromo-5-(difluoromethoxy)-3-(fluoromethoxy)benzene
CID 118841497
1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene
CID 134629997
[3-chloro-5-(difluoromethoxy)phenyl]methanamine
CID 130564088
1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
CID 75365418
1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
CID 166641394
1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene
CID 75365408

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene?
The IUPAC name of 2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene (CID 171032891) is 2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene.
What is the SMILES notation for 2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene?
The canonical SMILES for 2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene is FC(F)Oc1cc(Cl)c(Br)c(Cl)c1.
What is the InChIKey of 2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene?
The InChIKey is YDWJGUXXLWDAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrCl2F2O/c8-6-4(9)1-3(2-5(6)10)13-7(11)12/h1-2,7H.
What are the key properties of 2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene?
2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene has a molecular weight of 291.91 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene is sourced from PubChem (CID 171032891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).