5-(bromomethyl)-4-fluorobenzene-1,3-diol

C7H6BrFO2 — CID 156868769

IUPAC5-(bromomethyl)-4-fluorobenzene-1,3-diol
SMILESOc1cc(O)c(F)c(CBr)c1
InChIInChI=1S/C7H6BrFO2/c8-3-4-1-5(10)2-6(11)7(4)9/h1-2,10-11H,3H2
InChIKeyPABMSCODCMFXRV-UHFFFAOYSA-N
MW221.02 g/mol
LogP2.13
Rot. Bonds1

About 5-(bromomethyl)-4-fluorobenzene-1,3-diol

5-(bromomethyl)-4-fluorobenzene-1,3-diol (PubChem CID 156868769) has the molecular formula C7H6BrFO2 and a molecular weight of 221.02 g/mol. Its IUPAC name is 5-(bromomethyl)-4-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name5-(bromomethyl)-4-fluorobenzene-1,3-diol
PubChem CID156868769
Molecular FormulaC7H6BrFO2
Molecular Weight221.02 g/mol
Exact Mass219.95
IUPAC Name5-(bromomethyl)-4-fluorobenzene-1,3-diol
SMILESOc1cc(O)c(F)c(CBr)c1
InChIInChI=1S/C7H6BrFO2/c8-3-4-1-5(10)2-6(11)7(4)9/h1-2,10-11H,3H2
InChIKeyPABMSCODCMFXRV-UHFFFAOYSA-N
XLogP2.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.02
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol
CID 118565985
2-(bromomethyl)-4,5-bis(trifluoromethyl)phenol
CID 118851209
3-ethyl-4,5-difluorophenol
CID 147335111
ethane;4-(fluoromethyl)benzene-1,3-diol
CID 172565118
5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130097039
3-bromo-6-(bromomethyl)-2-fluorophenol
CID 130820580
2-fluoro-3-(hydroxymethyl)-5-methylphenol
CID 117276057
6-(bromomethyl)-1,3-benzodioxol-5-ol
CID 130132308
3-bromo-7-(bromomethyl)-1-benzothiophen-5-ol
CID 130987984
5-(bromomethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079432
4-(bromomethyl)-5-fluoro-2-methoxyphenol
CID 130756651
7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol
CID 130969983

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-fluorobenzene-1,3-diol?
The IUPAC name of 5-(bromomethyl)-4-fluorobenzene-1,3-diol (CID 156868769) is 5-(bromomethyl)-4-fluorobenzene-1,3-diol.
What is the SMILES notation for 5-(bromomethyl)-4-fluorobenzene-1,3-diol?
The canonical SMILES for 5-(bromomethyl)-4-fluorobenzene-1,3-diol is Oc1cc(O)c(F)c(CBr)c1.
What is the InChIKey of 5-(bromomethyl)-4-fluorobenzene-1,3-diol?
The InChIKey is PABMSCODCMFXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO2/c8-3-4-1-5(10)2-6(11)7(4)9/h1-2,10-11H,3H2.
What are the key properties of 5-(bromomethyl)-4-fluorobenzene-1,3-diol?
5-(bromomethyl)-4-fluorobenzene-1,3-diol has a molecular weight of 221.02 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-fluorobenzene-1,3-diol is sourced from PubChem (CID 156868769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).