(2-bromo-3,4,5-trifluorophenyl)methanol

C7H4BrF3O — CID 89016097

IUPAC(2-bromo-3,4,5-trifluorophenyl)methanol
SMILESOCc1cc(F)c(F)c(F)c1Br
InChIInChI=1S/C7H4BrF3O/c8-5-3(2-12)1-4(9)6(10)7(5)11/h1,12H,2H2
InChIKeyHOFDURQEASOZBV-UHFFFAOYSA-N
MW241.01 g/mol
LogP2.36
Rot. Bonds1

About (2-bromo-3,4,5-trifluorophenyl)methanol

(2-bromo-3,4,5-trifluorophenyl)methanol (PubChem CID 89016097) has the molecular formula C7H4BrF3O and a molecular weight of 241.01 g/mol. Its IUPAC name is (2-bromo-3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3,4,5-trifluorophenyl)methanol
PubChem CID89016097
Molecular FormulaC7H4BrF3O
Molecular Weight241.01 g/mol
Exact Mass239.94
IUPAC Name(2-bromo-3,4,5-trifluorophenyl)methanol
SMILESOCc1cc(F)c(F)c(F)c1Br
InChIInChI=1S/C7H4BrF3O/c8-5-3(2-12)1-4(9)6(10)7(5)11/h1,12H,2H2
InChIKeyHOFDURQEASOZBV-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4,5-trifluorophenyl)methanol?
The IUPAC name of (2-bromo-3,4,5-trifluorophenyl)methanol (CID 89016097) is (2-bromo-3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (2-bromo-3,4,5-trifluorophenyl)methanol?
The canonical SMILES for (2-bromo-3,4,5-trifluorophenyl)methanol is OCc1cc(F)c(F)c(F)c1Br.
What is the InChIKey of (2-bromo-3,4,5-trifluorophenyl)methanol?
The InChIKey is HOFDURQEASOZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3O/c8-5-3(2-12)1-4(9)6(10)7(5)11/h1,12H,2H2.
What are the key properties of (2-bromo-3,4,5-trifluorophenyl)methanol?
(2-bromo-3,4,5-trifluorophenyl)methanol has a molecular weight of 241.01 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 89016097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).