CAS
929074-45-3 Purity
96%
929074-45-3 Purity
96%
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1,3-Bis(1H,1H,5H-octafluoropentoxy)-propan-2-ol
CAS
929080-18-2
Catalog Number
ACM929080182
Category
Other Products
Molecular Weight
520.207
Molecular Formula
C13H12F16O3
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Specification
Synonyms
1,3-BIS(1H,1H,5H-OCTAFLUOROPENTOXY)-PROPAN-2-OL;
IUPAC Name
2-Propanol, 1,3-bis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-
Boiling Point
347.2±42.0 °C (760 mmHg)
Density
1.521±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
520.05300
What is the molecular formula of 1,3-Bis(1H,1H,5H-octafluoropentoxy)-propan-2-ol?
The molecular formula is C13H12F16O3.
What is the molecular weight of 1,3-Bis(1H,1H,5H-octafluoropentoxy)-propan-2-ol?
The molecular weight is 520.21 g/mol.
What is the IUPAC name of 1,3-Bis(1H,1H,5H-octafluoropentoxy)-propan-2-ol?
The IUPAC name is 1,3-bis(1,2,2,3,3,4,4,5-octafluoropentoxy)propan-2-ol.
What is the InChI of 1,3-Bis(1H,1H,5H-octafluoropentoxy)-propan-2-ol?
The InChI is InChI=1S/C13H12F16O3/c14-3-8(18,19)12(26,27)10(22,23)6(16)31-1-5(30)2-32-7(17)11(24,25)13(28,29)9(20,21)4-15/h5-7,30H,1-4H2.
What is the InChIKey of 1,3-Bis(1H,1H,5H-octafluoropentoxy)-propan-2-ol?
The InChIKey is VNTBQAGCLXMNQS-UHFFFAOYSA-N.
What is the canonical SMILES of 1,3-Bis(1H,1H,5H-octafluoropentoxy)-propan-2-ol?
The canonical SMILES is C(C(COC(C(C(C(CF)(F)F)(F)F)(F)F)F)O)OC(C(C(C(CF)(F)F)(F)F)(F)F)F.
What is the XLogP3-AA value of 1,3-Bis(1H,1H,5H-octafluoropentoxy)-propan-2-ol?
The XLogP3-AA value is 5.
How many hydrogen bond donor atoms does 1,3-Bis(1H,1H,5H-octafluoropentoxy)-propan-2-ol have?
It has 1 hydrogen bond donor atom.
How many hydrogen bond acceptor atoms does 1,3-Bis(1H,1H,5H-octafluoropentoxy)-propan-2-ol have?
It has 19 hydrogen bond acceptor atoms.
How many rotatable bonds does 1,3-Bis(1H,1H,5H-octafluoropentoxy)-propan-2-ol have?
It has 14 rotatable bonds.
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