1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid

C5H6F6O4 — CID 18450446

IUPAC1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid
SMILESO=C(O)CO.OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O.C2H4O3/c4-1(5)2(6,10)3(7,8)9;3-1-2(4)5/h1,10H;3H,1H2,(H,4,5)
InChIKeyBWXZMESQGDKPEW-UHFFFAOYSA-N
MW244.09 g/mol
LogP0.54
Rot. Bonds2

About 1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid

1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid (PubChem CID 18450446) has the molecular formula C5H6F6O4 and a molecular weight of 244.09 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid
PubChem CID18450446
Molecular FormulaC5H6F6O4
Molecular Weight244.09 g/mol
Exact Mass244.02
IUPAC Name1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid
SMILESO=C(O)CO.OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O.C2H4O3/c4-1(5)2(6,10)3(7,8)9;3-1-2(4)5/h1,10H;3H,1H2,(H,4,5)
InChIKeyBWXZMESQGDKPEW-UHFFFAOYSA-N
XLogP0.54
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine
CID 13231155
CID 88684247
CID 88684247
tetrakis(2-hydroxyacetic acid);silane
CID 173225780
bis(2-hydroxyacetic acid);methane
CID 158039555
2-deuteriooxy-1,1,1,2,3,3-hexafluoropropane
CID 13350569
3,3,4,4-tetrafluorobutanoic acid
CID 29005286
(1-fluoro-2-methylpropan-2-yl) 2,2-dimethylbutanoate;1,1,1,2,3,3-hexafluoropropan-2-ol
CID 91236073
diiminoplatinum;2-hydroxyacetic acid
CID 46738098
benzene;2-hydroxyacetic acid
CID 67764636
azane;2-hydroxyacetic acid;zirconium
CID 173458110
2-hydroxyacetic acid;silane;zirconium
CID 174940076
dioxidanium;bis(2-hydroxyacetic acid);manganese
CID 5232950

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid?
The IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid (CID 18450446) is 1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid?
The canonical SMILES for 1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid is O=C(O)CO.OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid?
The InChIKey is BWXZMESQGDKPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O.C2H4O3/c4-1(5)2(6,10)3(7,8)9;3-1-2(4)5/h1,10H;3H,1H2,(H,4,5).
What are the key properties of 1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid?
1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid has a molecular weight of 244.09 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoropropan-2-ol;2-hydroxyacetic acid is sourced from PubChem (CID 18450446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).