3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol

C6H8F6O3 — CID 14149934

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol
SMILESOCC(O)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O3/c7-5(8,9)4(6(10,11)12)15-2-3(14)1-13/h3-4,13-14H,1-2H2
InChIKeyXKQDDTMWTVFHNI-UHFFFAOYSA-N
MW242.12 g/mol
LogP0.85
Rot. Bonds4

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol (PubChem CID 14149934) has the molecular formula C6H8F6O3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol
PubChem CID14149934
Molecular FormulaC6H8F6O3
Molecular Weight242.12 g/mol
Exact Mass242.04
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol
SMILESOCC(O)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O3/c7-5(8,9)4(6(10,11)12)15-2-3(14)1-13/h3-4,13-14H,1-2H2
InChIKeyXKQDDTMWTVFHNI-UHFFFAOYSA-N
XLogP0.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol (CID 14149934) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol is OCC(O)COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol?
The InChIKey is XKQDDTMWTVFHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O3/c7-5(8,9)4(6(10,11)12)15-2-3(14)1-13/h3-4,13-14H,1-2H2.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol has a molecular weight of 242.12 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1,2-diol is sourced from PubChem (CID 14149934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).