1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol

C16H8F12O2 — CID 23528241

IUPAC1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol
SMILESOC(c1ccc2c(C(O)(C(F)(F)F)C(F)(F)F)cccc2c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H8F12O2/c17-13(18,19)11(29,14(20,21)22)8-4-5-9-7(6-8)2-1-3-10(9)12(30,15(23,24)25)16(26,27)28/h1-6,29-30H
InChIKeyVLBZCKBVDFXIOA-UHFFFAOYSA-N
MW460.21 g/mol
LogP5.46
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol (PubChem CID 23528241) has the molecular formula C16H8F12O2 and a molecular weight of 460.21 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol
PubChem CID23528241
Molecular FormulaC16H8F12O2
Molecular Weight460.21 g/mol
Exact Mass460.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol
SMILESOC(c1ccc2c(C(O)(C(F)(F)F)C(F)(F)F)cccc2c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H8F12O2/c17-13(18,19)11(29,14(20,21)22)8-4-5-9-7(6-8)2-1-3-10(9)12(30,15(23,24)25)16(26,27)28/h1-6,29-30H
InChIKeyVLBZCKBVDFXIOA-UHFFFAOYSA-N
XLogP5.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.21
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol (CID 23528241) is 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol is OC(c1ccc2c(C(O)(C(F)(F)F)C(F)(F)F)cccc2c1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol?
The InChIKey is VLBZCKBVDFXIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F12O2/c17-13(18,19)11(29,14(20,21)22)8-4-5-9-7(6-8)2-1-3-10(9)12(30,15(23,24)25)16(26,27)28/h1-6,29-30H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol has a molecular weight of 460.21 g/mol, XLogP of 5.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]propan-2-ol is sourced from PubChem (CID 23528241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).