3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol

C13H7ClF4O2 — CID 53222067

IUPAC3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol
SMILESOc1cc(OC(F)(F)F)cc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H7ClF4O2/c14-11-5-7(1-2-12(11)15)8-3-9(19)6-10(4-8)20-13(16,17)18/h1-6,19H
InChIKeyIELPYYCQRDLKTK-UHFFFAOYSA-N
MW306.64 g/mol
LogP4.75
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol

3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol (PubChem CID 53222067) has the molecular formula C13H7ClF4O2 and a molecular weight of 306.64 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol
PubChem CID53222067
Molecular FormulaC13H7ClF4O2
Molecular Weight306.64 g/mol
Exact Mass306.01
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol
SMILESOc1cc(OC(F)(F)F)cc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H7ClF4O2/c14-11-5-7(1-2-12(11)15)8-3-9(19)6-10(4-8)20-13(16,17)18/h1-6,19H
InChIKeyIELPYYCQRDLKTK-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.64
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol (CID 53222067) is 3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol is Oc1cc(OC(F)(F)F)cc(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol?
The InChIKey is IELPYYCQRDLKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4O2/c14-11-5-7(1-2-12(11)15)8-3-9(19)6-10(4-8)20-13(16,17)18/h1-6,19H.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol?
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol has a molecular weight of 306.64 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol is sourced from PubChem (CID 53222067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).