2-(bromomethyl)-6-fluorophenol

C7H6BrFO — CID 86086661

IUPAC2-(bromomethyl)-6-fluorophenol
SMILESOc1c(F)cccc1CBr
InChIInChI=1S/C7H6BrFO/c8-4-5-2-1-3-6(9)7(5)10/h1-3,10H,4H2
InChIKeySJJKAANCXCSRPS-UHFFFAOYSA-N
MW205.03 g/mol
LogP2.43
Rot. Bonds1

About 2-(bromomethyl)-6-fluorophenol

2-(bromomethyl)-6-fluorophenol (PubChem CID 86086661) has the molecular formula C7H6BrFO and a molecular weight of 205.03 g/mol. Its IUPAC name is 2-(bromomethyl)-6-fluorophenol.

Molecular Properties

Compound Name2-(bromomethyl)-6-fluorophenol
PubChem CID86086661
Molecular FormulaC7H6BrFO
Molecular Weight205.03 g/mol
Exact Mass203.96
IUPAC Name2-(bromomethyl)-6-fluorophenol
SMILESOc1c(F)cccc1CBr
InChIInChI=1S/C7H6BrFO/c8-4-5-2-1-3-6(9)7(5)10/h1-3,10H,4H2
InChIKeySJJKAANCXCSRPS-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 52.43
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

1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644
2-fluoro-6-(nitrosomethyl)phenol
CID 91467054
bis(2,6-difluorophenol);zirconium
CID 161409047
2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
CID 112616072
2-(4-aminobutyl)-6-fluorophenol
CID 117279586
3-(3-fluoro-2-hydroxyphenyl)propanal
CID 117276587
2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
CID 112606368
2-[[ethyl(propyl)amino]methyl]-6-fluorophenol
CID 112616084
2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol
CID 112616088
1-[2-(bromomethyl)-6-fluorophenyl]propan-2-one
CID 130968306
2-(3-fluoro-2-hydroxyphenyl)ethanimidamide
CID 83676622

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-fluorophenol?
The IUPAC name of 2-(bromomethyl)-6-fluorophenol (CID 86086661) is 2-(bromomethyl)-6-fluorophenol.
What is the SMILES notation for 2-(bromomethyl)-6-fluorophenol?
The canonical SMILES for 2-(bromomethyl)-6-fluorophenol is Oc1c(F)cccc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-fluorophenol?
The InChIKey is SJJKAANCXCSRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO/c8-4-5-2-1-3-6(9)7(5)10/h1-3,10H,4H2.
What are the key properties of 2-(bromomethyl)-6-fluorophenol?
2-(bromomethyl)-6-fluorophenol has a molecular weight of 205.03 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-fluorophenol is sourced from PubChem (CID 86086661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).