2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol

C15H6Cl4F6O2 — CID 174906043

IUPAC2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol
SMILESOc1c(Cl)cc(C(F)(F)C(F)(c2cc(Cl)c(O)c(Cl)c2)C(F)(F)F)cc1Cl
InChIInChI=1S/C15H6Cl4F6O2/c16-7-1-5(2-8(17)11(7)26)13(20,15(23,24)25)14(21,22)6-3-9(18)12(27)10(19)4-6/h1-4,26-27H
InChIKeyRLNQVTFOJMKWNC-UHFFFAOYSA-N
MW474.01 g/mol
LogP7.23
Rot. Bonds3

About 2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol

2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol (PubChem CID 174906043) has the molecular formula C15H6Cl4F6O2 and a molecular weight of 474.01 g/mol. Its IUPAC name is 2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol
PubChem CID174906043
Molecular FormulaC15H6Cl4F6O2
Molecular Weight474.01 g/mol
Exact Mass471.90
IUPAC Name2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol
SMILESOc1c(Cl)cc(C(F)(F)C(F)(c2cc(Cl)c(O)c(Cl)c2)C(F)(F)F)cc1Cl
InChIInChI=1S/C15H6Cl4F6O2/c16-7-1-5(2-8(17)11(7)26)13(20,15(23,24)25)14(21,22)6-3-9(18)12(27)10(19)4-6/h1-4,26-27H
InChIKeyRLNQVTFOJMKWNC-UHFFFAOYSA-N
XLogP7.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.01
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol?
The IUPAC name of 2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol (CID 174906043) is 2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol?
The canonical SMILES for 2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol is Oc1c(Cl)cc(C(F)(F)C(F)(c2cc(Cl)c(O)c(Cl)c2)C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol?
The InChIKey is RLNQVTFOJMKWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl4F6O2/c16-7-1-5(2-8(17)11(7)26)13(20,15(23,24)25)14(21,22)6-3-9(18)12(27)10(19)4-6/h1-4,26-27H.
What are the key properties of 2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol?
2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol has a molecular weight of 474.01 g/mol, XLogP of 7.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol is sourced from PubChem (CID 174906043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).