[1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol

C10H12F8O4 — CID 59628186

IUPAC[1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol
SMILESOCC1(F)C(F)(F)C(F)(CO)C(F)(CO)C(F)(F)C1(F)CO
InChIInChI=1S/C10H12F8O4/c11-5(1-19)6(12,2-20)10(17,18)8(14,4-22)7(13,3-21)9(5,15)16/h19-22H,1-4H2
InChIKeyRZYGSRVCDTVPGG-UHFFFAOYSA-N
MW348.19 g/mol
LogP0.07
Rot. Bonds4

About [1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol

[1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol (PubChem CID 59628186) has the molecular formula C10H12F8O4 and a molecular weight of 348.19 g/mol. Its IUPAC name is [1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol
PubChem CID59628186
Molecular FormulaC10H12F8O4
Molecular Weight348.19 g/mol
Exact Mass348.06
IUPAC Name[1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol
SMILESOCC1(F)C(F)(F)C(F)(CO)C(F)(CO)C(F)(F)C1(F)CO
InChIInChI=1S/C10H12F8O4/c11-5(1-19)6(12,2-20)10(17,18)8(14,4-22)7(13,3-21)9(5,15)16/h19-22H,1-4H2
InChIKeyRZYGSRVCDTVPGG-UHFFFAOYSA-N
XLogP0.07
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol?
The IUPAC name of [1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol (CID 59628186) is [1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol.
What is the SMILES notation for [1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol?
The canonical SMILES for [1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol is OCC1(F)C(F)(F)C(F)(CO)C(F)(CO)C(F)(F)C1(F)CO.
What is the InChIKey of [1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol?
The InChIKey is RZYGSRVCDTVPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8O4/c11-5(1-19)6(12,2-20)10(17,18)8(14,4-22)7(13,3-21)9(5,15)16/h19-22H,1-4H2.
What are the key properties of [1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol?
[1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol has a molecular weight of 348.19 g/mol, XLogP of 0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,2,3,4,5,5,6-octafluoro-3,4,6-tris(hydroxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 59628186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).