2-bromo-6-chloro-4-(fluoromethyl)phenol

C7H5BrClFO — CID 84701473

IUPAC2-bromo-6-chloro-4-(fluoromethyl)phenol
SMILESOc1c(Cl)cc(CF)cc1Br
InChIInChI=1S/C7H5BrClFO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H,3H2
InChIKeyRXEMDTVTRVPWIT-UHFFFAOYSA-N
MW239.47 g/mol
LogP3.28
Rot. Bonds1

About 2-bromo-6-chloro-4-(fluoromethyl)phenol

2-bromo-6-chloro-4-(fluoromethyl)phenol (PubChem CID 84701473) has the molecular formula C7H5BrClFO and a molecular weight of 239.47 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-(fluoromethyl)phenol.

Molecular Properties

Compound Name2-bromo-6-chloro-4-(fluoromethyl)phenol
PubChem CID84701473
Molecular FormulaC7H5BrClFO
Molecular Weight239.47 g/mol
Exact Mass237.92
IUPAC Name2-bromo-6-chloro-4-(fluoromethyl)phenol
SMILESOc1c(Cl)cc(CF)cc1Br
InChIInChI=1S/C7H5BrClFO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H,3H2
InChIKeyRXEMDTVTRVPWIT-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-(fluoromethyl)phenol?
The IUPAC name of 2-bromo-6-chloro-4-(fluoromethyl)phenol (CID 84701473) is 2-bromo-6-chloro-4-(fluoromethyl)phenol.
What is the SMILES notation for 2-bromo-6-chloro-4-(fluoromethyl)phenol?
The canonical SMILES for 2-bromo-6-chloro-4-(fluoromethyl)phenol is Oc1c(Cl)cc(CF)cc1Br.
What is the InChIKey of 2-bromo-6-chloro-4-(fluoromethyl)phenol?
The InChIKey is RXEMDTVTRVPWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H,3H2.
What are the key properties of 2-bromo-6-chloro-4-(fluoromethyl)phenol?
2-bromo-6-chloro-4-(fluoromethyl)phenol has a molecular weight of 239.47 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-(fluoromethyl)phenol is sourced from PubChem (CID 84701473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).