3-bromo-6-(bromomethyl)-2-fluorophenol

C7H5Br2FO — CID 130820580

IUPAC3-bromo-6-(bromomethyl)-2-fluorophenol
SMILESOc1c(CBr)ccc(Br)c1F
InChIInChI=1S/C7H5Br2FO/c8-3-4-1-2-5(9)6(10)7(4)11/h1-2,11H,3H2
InChIKeyDTHBADDNUPZRDM-UHFFFAOYSA-N
MW283.92 g/mol
LogP3.19
Rot. Bonds1

About 3-bromo-6-(bromomethyl)-2-fluorophenol

3-bromo-6-(bromomethyl)-2-fluorophenol (PubChem CID 130820580) has the molecular formula C7H5Br2FO and a molecular weight of 283.92 g/mol. Its IUPAC name is 3-bromo-6-(bromomethyl)-2-fluorophenol.

Molecular Properties

Compound Name3-bromo-6-(bromomethyl)-2-fluorophenol
PubChem CID130820580
Molecular FormulaC7H5Br2FO
Molecular Weight283.92 g/mol
Exact Mass281.87
IUPAC Name3-bromo-6-(bromomethyl)-2-fluorophenol
SMILESOc1c(CBr)ccc(Br)c1F
InChIInChI=1S/C7H5Br2FO/c8-3-4-1-2-5(9)6(10)7(4)11/h1-2,11H,3H2
InChIKeyDTHBADDNUPZRDM-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.92
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate
CID 151805451
3-bromo-6-chloro-2-fluorophenol
CID 66601002
6-bromo-3-(chloromethyl)-2-fluorophenol
CID 131216679
3-(aminomethyl)-6-bromo-2-fluorophenol
CID 118845822
4-bromo-3-fluoro-2-hydroxybenzenesulfonamide
CID 130924167
2-(bromomethyl)-6-fluorophenol
CID 86086661
1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene
CID 118824651
(2-amino-4-bromo-3-fluorophenyl)methanol
CID 150043826
(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102
2-bromo-1-(bromomethyl)-3-fluoro-4-iodobenzene
CID 98041507
3-bromo-6-[(1R)-1,3-diaminopropyl]-2-fluorophenol
CID 130815027

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(bromomethyl)-2-fluorophenol?
The IUPAC name of 3-bromo-6-(bromomethyl)-2-fluorophenol (CID 130820580) is 3-bromo-6-(bromomethyl)-2-fluorophenol.
What is the SMILES notation for 3-bromo-6-(bromomethyl)-2-fluorophenol?
The canonical SMILES for 3-bromo-6-(bromomethyl)-2-fluorophenol is Oc1c(CBr)ccc(Br)c1F.
What is the InChIKey of 3-bromo-6-(bromomethyl)-2-fluorophenol?
The InChIKey is DTHBADDNUPZRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2FO/c8-3-4-1-2-5(9)6(10)7(4)11/h1-2,11H,3H2.
What are the key properties of 3-bromo-6-(bromomethyl)-2-fluorophenol?
3-bromo-6-(bromomethyl)-2-fluorophenol has a molecular weight of 283.92 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(bromomethyl)-2-fluorophenol is sourced from PubChem (CID 130820580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).