5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene

C13H7BrF4O — CID 107088431

IUPAC5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene
SMILESFc1cccc(Oc2c(F)cc(CBr)cc2F)c1F
InChIInChI=1S/C13H7BrF4O/c14-6-7-4-9(16)13(10(17)5-7)19-11-3-1-2-8(15)12(11)18/h1-5H,6H2
InChIKeyAZCMSBXAPBJUGQ-UHFFFAOYSA-N
MW335.09 g/mol
LogP4.93
Rot. Bonds3

About 5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene

5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene (PubChem CID 107088431) has the molecular formula C13H7BrF4O and a molecular weight of 335.09 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene
PubChem CID107088431
Molecular FormulaC13H7BrF4O
Molecular Weight335.09 g/mol
Exact Mass333.96
IUPAC Name5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene
SMILESFc1cccc(Oc2c(F)cc(CBr)cc2F)c1F
InChIInChI=1S/C13H7BrF4O/c14-6-7-4-9(16)13(10(17)5-7)19-11-3-1-2-8(15)12(11)18/h1-5H,6H2
InChIKeyAZCMSBXAPBJUGQ-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.09
LogP ≤ 54.93
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-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802666
1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine
CID 63077723
5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene
CID 107087316
5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine
CID 107088439
4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283926
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene
CID 63565884
3-[4-(bromomethyl)-2,6-difluorophenoxy]-N,N-dimethylaniline
CID 107088145
5-(bromomethyl)-2-(3,4-dimethylphenoxy)-1,3-difluorobenzene
CID 107086989
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene?
The IUPAC name of 5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene (CID 107088431) is 5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene.
What is the SMILES notation for 5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene?
The canonical SMILES for 5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene is Fc1cccc(Oc2c(F)cc(CBr)cc2F)c1F.
What is the InChIKey of 5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene?
The InChIKey is AZCMSBXAPBJUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4O/c14-6-7-4-9(16)13(10(17)5-7)19-11-3-1-2-8(15)12(11)18/h1-5H,6H2.
What are the key properties of 5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene?
5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene has a molecular weight of 335.09 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene is sourced from PubChem (CID 107088431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).