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

C3H3F7O — CID 174923385

IUPAC1,1,1,2,3,3-hexafluoropropan-2-ol;hydrofluoride
SMILESF.OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O.FH/c4-1(5)2(6,10)3(7,8)9;/h1,10H;1H
InChIKeyZABKYQXWVDNHKK-UHFFFAOYSA-N
MW188.04 g/mol
LogP1.62
Rot. Bonds1

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

1,1,1,2,3,3-hexafluoropropan-2-ol;hydrofluoride (PubChem CID 174923385) has the molecular formula C3H3F7O and a molecular weight of 188.04 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrofluoride.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoropropan-2-ol;hydrofluoride
PubChem CID174923385
Molecular FormulaC3H3F7O
Molecular Weight188.04 g/mol
Exact Mass188.01
IUPAC Name1,1,1,2,3,3-hexafluoropropan-2-ol;hydrofluoride
SMILESF.OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O.FH/c4-1(5)2(6,10)3(7,8)9;/h1,10H;1H
InChIKeyZABKYQXWVDNHKK-UHFFFAOYSA-N
XLogP1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.04
LogP ≤ 51.62
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;hydrofluoride?
The IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrofluoride (CID 174923385) is 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrofluoride.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrofluoride?
The canonical SMILES for 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrofluoride is F.OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrofluoride?
The InChIKey is ZABKYQXWVDNHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O.FH/c4-1(5)2(6,10)3(7,8)9;/h1,10H;1H.
What are the key properties of 1,1,1,2,3,3-hexafluoropropan-2-ol;hydrofluoride?
1,1,1,2,3,3-hexafluoropropan-2-ol;hydrofluoride has a molecular weight of 188.04 g/mol, XLogP of 1.62, 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;hydrofluoride is sourced from PubChem (CID 174923385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).