[4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol

C8H5BrF4O — CID 11265752

IUPAC[4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol
SMILESOCc1c(F)c(F)c(CBr)c(F)c1F
InChIInChI=1S/C8H5BrF4O/c9-1-3-5(10)7(12)4(2-14)8(13)6(3)11/h14H,1-2H2
InChIKeyADIJGVURNDURDC-UHFFFAOYSA-N
MW273.02 g/mol
LogP2.63
Rot. Bonds2

About [4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol

[4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol (PubChem CID 11265752) has the molecular formula C8H5BrF4O and a molecular weight of 273.02 g/mol. Its IUPAC name is [4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol.

Molecular Properties

Compound Name[4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol
PubChem CID11265752
Molecular FormulaC8H5BrF4O
Molecular Weight273.02 g/mol
Exact Mass271.95
IUPAC Name[4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol
SMILESOCc1c(F)c(F)c(CBr)c(F)c1F
InChIInChI=1S/C8H5BrF4O/c9-1-3-5(10)7(12)4(2-14)8(13)6(3)11/h14H,1-2H2
InChIKeyADIJGVURNDURDC-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.02
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,6-Pentafluorobenzyl Alcohol
CID 9923
4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol
CID 2734209
(4-Bromo-2,3,5,6-tetrafluorophenyl)methanol
CID 13670571
4-(Bromomethyl)benzyl alcohol
CID 10330434
2,3,5,6-Tetrafluoro-1,4-benzenedimethanol
CID 4098835
1-(Bromomethyl)-2,3,5,6-tetrafluoro-4-(methoxymethyl)benzene
CID 14718800
[2,6-Difluoro-4-(trifluoromethyl)phenyl]methanol
CID 75525786
(3,5-Difluoro-4-(trifluoromethyl)phenyl)methanol
CID 75539535
3-Bromo-1-(2,3,4,5,6-pentafluorophenyl)but-3-en-1-ol
CID 10403505
4-Propargyl-2,3,5,6-tetrafluorobenzyl alcohol
CID 11435909
(4-Ethyl-2,3,5,6-tetrafluorophenyl)methanol
CID 12944010
(2,3,5,6-Tetrafluoro-4-propylphenyl)methanol
CID 12944011

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol?
The IUPAC name of [4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol (CID 11265752) is [4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol.
What is the SMILES notation for [4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol?
The canonical SMILES for [4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol is OCc1c(F)c(F)c(CBr)c(F)c1F.
What is the InChIKey of [4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol?
The InChIKey is ADIJGVURNDURDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF4O/c9-1-3-5(10)7(12)4(2-14)8(13)6(3)11/h14H,1-2H2.
What are the key properties of [4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol?
[4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol has a molecular weight of 273.02 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methanol is sourced from PubChem (CID 11265752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).