4-[chloro(difluoro)methoxy]phenol

C7H5ClF2O2 — CID 13253418

IUPAC4-[chloro(difluoro)methoxy]phenol
SMILESOc1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C7H5ClF2O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChIKeyJEWGFPLXZQAZCQ-UHFFFAOYSA-N
MW194.56 g/mol
LogP2.56
Rot. Bonds2

About 4-[chloro(difluoro)methoxy]phenol

4-[chloro(difluoro)methoxy]phenol (PubChem CID 13253418) has the molecular formula C7H5ClF2O2 and a molecular weight of 194.56 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]phenol.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]phenol
PubChem CID13253418
Molecular FormulaC7H5ClF2O2
Molecular Weight194.56 g/mol
Exact Mass193.99
IUPAC Name4-[chloro(difluoro)methoxy]phenol
SMILESOc1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C7H5ClF2O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChIKeyJEWGFPLXZQAZCQ-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.56
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methoxy]phenol?
The IUPAC name of 4-[chloro(difluoro)methoxy]phenol (CID 13253418) is 4-[chloro(difluoro)methoxy]phenol.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]phenol?
The canonical SMILES for 4-[chloro(difluoro)methoxy]phenol is Oc1ccc(OC(F)(F)Cl)cc1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]phenol?
The InChIKey is JEWGFPLXZQAZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H.
What are the key properties of 4-[chloro(difluoro)methoxy]phenol?
4-[chloro(difluoro)methoxy]phenol has a molecular weight of 194.56 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methoxy]phenol is sourced from PubChem (CID 13253418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).