benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol

C15H7F5O7 — CID 158155753

IUPACbenzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H6O6.C6HF5O/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;7-1-2(8)4(10)6(12)5(11)3(1)9/h1-3H,(H,10,11)(H,12,13)(H,14,15);12H
InChIKeyFVQXAMFXARXPKY-UHFFFAOYSA-N
MW394.20 g/mol
LogP2.87
Rot. Bonds3

About benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol

benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol (PubChem CID 158155753) has the molecular formula C15H7F5O7 and a molecular weight of 394.20 g/mol. Its IUPAC name is benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol.

Molecular Properties

Compound Namebenzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol
PubChem CID158155753
Molecular FormulaC15H7F5O7
Molecular Weight394.20 g/mol
Exact Mass394.01
IUPAC Namebenzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H6O6.C6HF5O/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;7-1-2(8)4(10)6(12)5(11)3(1)9/h1-3H,(H,10,11)(H,12,13)(H,14,15);12H
InChIKeyFVQXAMFXARXPKY-UHFFFAOYSA-N
XLogP2.87
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.20
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(2,3,4,5,6-pentafluorophenyl)benzene-1,3-dicarboxylic acid
CID 177395846
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410
benzene-1,3,5-tricarboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174934845
2,3,4,5,6-pentafluorophenol;2,2,2-trifluoroacetic acid
CID 86586943
benzene;benzene-1,3,5-tricarboxylic acid;carbonic acid
CID 174275338
barium(2+);benzene-1,3,5-tricarboxylic acid;hydride
CID 174613622
benzene-1,3,5-tricarboxylic acid;cerium;thorium
CID 175461142
benzene-1,3,5-tricarboxylic acid;europium;lanthanum
CID 174874160
3,4,5-trihydroxybenzoic acid
CID 370

Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol?
The IUPAC name of benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol (CID 158155753) is benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol.
What is the SMILES notation for benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol?
The canonical SMILES for benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol is O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol?
The InChIKey is FVQXAMFXARXPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O6.C6HF5O/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;7-1-2(8)4(10)6(12)5(11)3(1)9/h1-3H,(H,10,11)(H,12,13)(H,14,15);12H.
What are the key properties of benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol?
benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol has a molecular weight of 394.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol is sourced from PubChem (CID 158155753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).