2,6-dichloro-4-(trifluoromethyl)phenol

C7H3Cl2F3O — CID 13358069

IUPAC2,6-dichloro-4-(trifluoromethyl)phenol
SMILESOc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H3Cl2F3O/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2,13H
InChIKeyILWGCRQDVDJDIT-UHFFFAOYSA-N
MW231.00 g/mol
LogP3.72
Rot. Bonds

About 2,6-dichloro-4-(trifluoromethyl)phenol

2,6-dichloro-4-(trifluoromethyl)phenol (PubChem CID 13358069) has the molecular formula C7H3Cl2F3O and a molecular weight of 231.00 g/mol. Its IUPAC name is 2,6-dichloro-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(trifluoromethyl)phenol
PubChem CID13358069
Molecular FormulaC7H3Cl2F3O
Molecular Weight231.00 g/mol
Exact Mass229.95
IUPAC Name2,6-dichloro-4-(trifluoromethyl)phenol
SMILESOc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H3Cl2F3O/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2,13H
InChIKeyILWGCRQDVDJDIT-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.00
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(trifluoromethyl)phenol?
The IUPAC name of 2,6-dichloro-4-(trifluoromethyl)phenol (CID 13358069) is 2,6-dichloro-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2,6-dichloro-4-(trifluoromethyl)phenol?
The canonical SMILES for 2,6-dichloro-4-(trifluoromethyl)phenol is Oc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(trifluoromethyl)phenol?
The InChIKey is ILWGCRQDVDJDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3O/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2,13H.
What are the key properties of 2,6-dichloro-4-(trifluoromethyl)phenol?
2,6-dichloro-4-(trifluoromethyl)phenol has a molecular weight of 231.00 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(trifluoromethyl)phenol is sourced from PubChem (CID 13358069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).