2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol

C7HCl4F3O — CID 139943583

IUPAC2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol
SMILESOc1c(Cl)c(Cl)c(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C7HCl4F3O/c8-2-1(7(12,13)14)3(9)6(15)5(11)4(2)10/h15H
InChIKeyIQEPXTUBROZXEB-UHFFFAOYSA-N
MW299.89 g/mol
LogP5.02
Rot. Bonds

About 2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol

2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol (PubChem CID 139943583) has the molecular formula C7HCl4F3O and a molecular weight of 299.89 g/mol. Its IUPAC name is 2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol
PubChem CID139943583
Molecular FormulaC7HCl4F3O
Molecular Weight299.89 g/mol
Exact Mass297.87
IUPAC Name2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol
SMILESOc1c(Cl)c(Cl)c(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C7HCl4F3O/c8-2-1(7(12,13)14)3(9)6(15)5(11)4(2)10/h15H
InChIKeyIQEPXTUBROZXEB-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.89
LogP ≤ 55.02
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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Related Compounds

1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
CID 88805355
1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene
CID 75406204
2,3,4,5,6-pentachlorophenol;yttrium
CID 162524677
2,3,4,5,6-pentachlorophenol;trihydrochloride
CID 175745759
3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol
CID 176776523
methylmercury;2,3,4,5,6-pentachlorophenol
CID 22190
1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene
CID 14250484
carbonic acid;bis(2,3,4,5,6-pentachlorophenol)
CID 57358650
2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol
CID 90973259
1,3-dichloro-2,4,5-trifluoro-6-(trifluoromethyl)benzene
CID 71406765
arsoric acid;2,3,4,5,6-pentachlorophenol
CID 158679056
chloroethane;2,3,4,5,6-pentachlorophenol
CID 88595437

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol?
The IUPAC name of 2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol (CID 139943583) is 2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol?
The canonical SMILES for 2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol is Oc1c(Cl)c(Cl)c(Cl)c(C(F)(F)F)c1Cl.
What is the InChIKey of 2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol?
The InChIKey is IQEPXTUBROZXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl4F3O/c8-2-1(7(12,13)14)3(9)6(15)5(11)4(2)10/h15H.
What are the key properties of 2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol?
2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol has a molecular weight of 299.89 g/mol, XLogP of 5.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 139943583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).