1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate

C3H4F6O2 — CID 87347981

IUPAC1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate
SMILESO.OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O.H2O/c4-1(5)2(6,10)3(7,8)9;/h1,10H;1H2
InChIKeyZNVBGIBRUFFICG-UHFFFAOYSA-N
MW186.05 g/mol
LogP0.65
Rot. Bonds1

About 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate

1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate (PubChem CID 87347981) has the molecular formula C3H4F6O2 and a molecular weight of 186.05 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate
PubChem CID87347981
Molecular FormulaC3H4F6O2
Molecular Weight186.05 g/mol
Exact Mass186.01
IUPAC Name1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate
SMILESO.OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O.H2O/c4-1(5)2(6,10)3(7,8)9;/h1,10H;1H2
InChIKeyZNVBGIBRUFFICG-UHFFFAOYSA-N
XLogP0.65
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.05
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate?
The IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate (CID 87347981) is 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate?
The canonical SMILES for 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate is O.OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate?
The InChIKey is ZNVBGIBRUFFICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O.H2O/c4-1(5)2(6,10)3(7,8)9;/h1,10H;1H2.
What are the key properties of 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate?
1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate has a molecular weight of 186.05 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrate is sourced from PubChem (CID 87347981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).