3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one

C9H7F3O3 — CID 58846959

IUPAC3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one
SMILESO=C(Cc1ccc(O)cc1O)C(F)(F)F
InChIInChI=1S/C9H7F3O3/c10-9(11,12)8(15)3-5-1-2-6(13)4-7(5)14/h1-2,4,13-14H,3H2
InChIKeyIMTXPMNXYBPQQP-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.77
Rot. Bonds2

About 3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one

3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one (PubChem CID 58846959) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one
PubChem CID58846959
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one
SMILESO=C(Cc1ccc(O)cc1O)C(F)(F)F
InChIInChI=1S/C9H7F3O3/c10-9(11,12)8(15)3-5-1-2-6(13)4-7(5)14/h1-2,4,13-14H,3H2
InChIKeyIMTXPMNXYBPQQP-UHFFFAOYSA-N
XLogP1.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one (CID 58846959) is 3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one is O=C(Cc1ccc(O)cc1O)C(F)(F)F.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one?
The InChIKey is IMTXPMNXYBPQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c10-9(11,12)8(15)3-5-1-2-6(13)4-7(5)14/h1-2,4,13-14H,3H2.
What are the key properties of 3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one?
3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one has a molecular weight of 220.15 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 58846959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).