benzene-1,3-diol;2,2,2-trifluoroacetic acid

C8H7F3O4 — CID 70611467

IUPACbenzene-1,3-diol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.Oc1cccc(O)c1
InChIInChI=1S/C6H6O2.C2HF3O2/c7-5-2-1-3-6(8)4-5;3-2(4,5)1(6)7/h1-4,7-8H;(H,6,7)
InChIKeyOOEZXWDFBOILIX-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.73
Rot. Bonds

About benzene-1,3-diol;2,2,2-trifluoroacetic acid

benzene-1,3-diol;2,2,2-trifluoroacetic acid (PubChem CID 70611467) has the molecular formula C8H7F3O4 and a molecular weight of 224.13 g/mol. Its IUPAC name is benzene-1,3-diol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namebenzene-1,3-diol;2,2,2-trifluoroacetic acid
PubChem CID70611467
Molecular FormulaC8H7F3O4
Molecular Weight224.13 g/mol
Exact Mass224.03
IUPAC Namebenzene-1,3-diol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.Oc1cccc(O)c1
InChIInChI=1S/C6H6O2.C2HF3O2/c7-5-2-1-3-6(8)4-5;3-2(4,5)1(6)7/h1-4,7-8H;(H,6,7)
InChIKeyOOEZXWDFBOILIX-UHFFFAOYSA-N
XLogP1.73
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747
benzene-1,3-diol;benzoic acid
CID 53446063
5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 175889277
bis(benzene-1,3-diol);formaldehyde
CID 174734201
benzene-1,3-diol;phenol
CID 23218590
benzene-1,3-diol;hexakis(prop-2-enoic acid)
CID 158588762
(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid
CID 131872454
bis(benzene-1,3-diol);hydrate
CID 174320343
benzene-1,3-diol;tris(yttrium)
CID 23386139
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
CID 174830791
CID 174830791

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;2,2,2-trifluoroacetic acid?
The IUPAC name of benzene-1,3-diol;2,2,2-trifluoroacetic acid (CID 70611467) is benzene-1,3-diol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for benzene-1,3-diol;2,2,2-trifluoroacetic acid?
The canonical SMILES for benzene-1,3-diol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.Oc1cccc(O)c1.
What is the InChIKey of benzene-1,3-diol;2,2,2-trifluoroacetic acid?
The InChIKey is OOEZXWDFBOILIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C2HF3O2/c7-5-2-1-3-6(8)4-5;3-2(4,5)1(6)7/h1-4,7-8H;(H,6,7).
What are the key properties of benzene-1,3-diol;2,2,2-trifluoroacetic acid?
benzene-1,3-diol;2,2,2-trifluoroacetic acid has a molecular weight of 224.13 g/mol, XLogP of 1.73, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70611467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).