[2-(bromomethyl)-3,5-difluorophenyl]methanol

C8H7BrF2O — CID 22121420

IUPAC[2-(bromomethyl)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)cc(F)c1CBr
InChIInChI=1S/C8H7BrF2O/c9-3-7-5(4-12)1-6(10)2-8(7)11/h1-2,12H,3-4H2
InChIKeyBLAMWLKHXBJPOZ-UHFFFAOYSA-N
MW237.04 g/mol
LogP2.35
Rot. Bonds2

About [2-(bromomethyl)-3,5-difluorophenyl]methanol

[2-(bromomethyl)-3,5-difluorophenyl]methanol (PubChem CID 22121420) has the molecular formula C8H7BrF2O and a molecular weight of 237.04 g/mol. Its IUPAC name is [2-(bromomethyl)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[2-(bromomethyl)-3,5-difluorophenyl]methanol
PubChem CID22121420
Molecular FormulaC8H7BrF2O
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name[2-(bromomethyl)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)cc(F)c1CBr
InChIInChI=1S/C8H7BrF2O/c9-3-7-5(4-12)1-6(10)2-8(7)11/h1-2,12H,3-4H2
InChIKeyBLAMWLKHXBJPOZ-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 52.35
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

2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
(2-tert-butyl-3,5-difluorophenyl)methanol
CID 166835720
(3-bromo-2,5-difluorophenyl)methanol
CID 66657412
[3,5-dibromo-2-(bromomethyl)phenyl]methanol
CID 22121392
(2-bromo-5-fluoro-3-iodophenyl)methanol
CID 131332719
[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol
CID 130878455
(2,6-dibromo-4-fluorophenyl)methanol
CID 58043943
2-(bromomethyl)-1,3-difluoro-5-iodobenzene
CID 131263559
[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130081832
3-bromo-2-(bromomethyl)-5-fluorophenol
CID 119014006
[2-(difluoromethoxy)-4,6-difluorophenyl]methanol
CID 130934755
[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol
CID 130087148

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-3,5-difluorophenyl]methanol?
The IUPAC name of [2-(bromomethyl)-3,5-difluorophenyl]methanol (CID 22121420) is [2-(bromomethyl)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [2-(bromomethyl)-3,5-difluorophenyl]methanol?
The canonical SMILES for [2-(bromomethyl)-3,5-difluorophenyl]methanol is OCc1cc(F)cc(F)c1CBr.
What is the InChIKey of [2-(bromomethyl)-3,5-difluorophenyl]methanol?
The InChIKey is BLAMWLKHXBJPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O/c9-3-7-5(4-12)1-6(10)2-8(7)11/h1-2,12H,3-4H2.
What are the key properties of [2-(bromomethyl)-3,5-difluorophenyl]methanol?
[2-(bromomethyl)-3,5-difluorophenyl]methanol has a molecular weight of 237.04 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 22121420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).