5-bromo-2-fluoro-4-(fluoromethoxy)phenol

C7H5BrF2O2 — CID 130893346

IUPAC5-bromo-2-fluoro-4-(fluoromethoxy)phenol
SMILESOc1cc(Br)c(OCF)cc1F
InChIInChI=1S/C7H5BrF2O2/c8-4-1-6(11)5(10)2-7(4)12-3-9/h1-2,11H,3H2
InChIKeyFDCJJKQZNKDUCH-UHFFFAOYSA-N
MW239.01 g/mol
LogP2.60
Rot. Bonds2

About 5-bromo-2-fluoro-4-(fluoromethoxy)phenol

5-bromo-2-fluoro-4-(fluoromethoxy)phenol (PubChem CID 130893346) has the molecular formula C7H5BrF2O2 and a molecular weight of 239.01 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-(fluoromethoxy)phenol.

Molecular Properties

Compound Name5-bromo-2-fluoro-4-(fluoromethoxy)phenol
PubChem CID130893346
Molecular FormulaC7H5BrF2O2
Molecular Weight239.01 g/mol
Exact Mass237.94
IUPAC Name5-bromo-2-fluoro-4-(fluoromethoxy)phenol
SMILESOc1cc(Br)c(OCF)cc1F
InChIInChI=1S/C7H5BrF2O2/c8-4-1-6(11)5(10)2-7(4)12-3-9/h1-2,11H,3H2
InChIKeyFDCJJKQZNKDUCH-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.01
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-4-(trifluoromethoxy)phenol
CID 130863182
5-bromo-2-fluoro-4-(fluoromethoxy)benzonitrile
CID 177183901
2-bromo-1,4-bis(fluoromethoxy)benzene
CID 150344358
1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene
CID 118852889
3-bromo-4-(fluoromethoxy)aniline
CID 174521231
4-bromo-2-fluoro-5-(hydroxymethyl)phenol
CID 66726435
4-bromo-2-ethoxy-5-fluorophenol
CID 118800387
1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene
CID 118828280
5-ethoxy-2,4-difluorophenol
CID 125116194
5-(aminomethyl)-4-bromo-2-fluorophenol
CID 118991902
2-bromo-5-fluoro-4-hydroxybenzenesulfonamide
CID 119014938
5-amino-4-bromo-2-fluorophenol
CID 74892030

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-4-(fluoromethoxy)phenol?
The IUPAC name of 5-bromo-2-fluoro-4-(fluoromethoxy)phenol (CID 130893346) is 5-bromo-2-fluoro-4-(fluoromethoxy)phenol.
What is the SMILES notation for 5-bromo-2-fluoro-4-(fluoromethoxy)phenol?
The canonical SMILES for 5-bromo-2-fluoro-4-(fluoromethoxy)phenol is Oc1cc(Br)c(OCF)cc1F.
What is the InChIKey of 5-bromo-2-fluoro-4-(fluoromethoxy)phenol?
The InChIKey is FDCJJKQZNKDUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O2/c8-4-1-6(11)5(10)2-7(4)12-3-9/h1-2,11H,3H2.
What are the key properties of 5-bromo-2-fluoro-4-(fluoromethoxy)phenol?
5-bromo-2-fluoro-4-(fluoromethoxy)phenol has a molecular weight of 239.01 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-4-(fluoromethoxy)phenol is sourced from PubChem (CID 130893346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).