1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol

C19H10F12O2 — CID 23528242

IUPAC1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol
SMILESOC(c1ccc2c(c1)Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H10F12O2/c20-16(21,22)14(32,17(23,24)25)10-1-3-12-8(6-10)5-9-7-11(2-4-13(9)12)15(33,18(26,27)28)19(29,30)31/h1-4,6-7,32-33H,5H2
InChIKeyMCONABOELXMFOI-UHFFFAOYSA-N
MW498.26 g/mol
LogP5.88
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol (PubChem CID 23528242) has the molecular formula C19H10F12O2 and a molecular weight of 498.26 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol
PubChem CID23528242
Molecular FormulaC19H10F12O2
Molecular Weight498.26 g/mol
Exact Mass498.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol
SMILESOC(c1ccc2c(c1)Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H10F12O2/c20-16(21,22)14(32,17(23,24)25)10-1-3-12-8(6-10)5-9-7-11(2-4-13(9)12)15(33,18(26,27)28)19(29,30)31/h1-4,6-7,32-33H,5H2
InChIKeyMCONABOELXMFOI-UHFFFAOYSA-N
XLogP5.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.26
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol (CID 23528242) is 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol is OC(c1ccc2c(c1)Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol?
The InChIKey is MCONABOELXMFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F12O2/c20-16(21,22)14(32,17(23,24)25)10-1-3-12-8(6-10)5-9-7-11(2-4-13(9)12)15(33,18(26,27)28)19(29,30)31/h1-4,6-7,32-33H,5H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol has a molecular weight of 498.26 g/mol, XLogP of 5.88, 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-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol is sourced from PubChem (CID 23528242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).