[9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid

C16H10BF3O5 — CID 10712802

IUPAC[9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid
SMILESO=C1c2cc(COC(=O)C(F)(F)F)ccc2-c2cc(B(O)O)ccc21
InChIInChI=1S/C16H10BF3O5/c18-16(19,20)15(22)25-7-8-1-3-10-12-6-9(17(23)24)2-4-11(12)14(21)13(10)5-8/h1-6,23-24H,7H2
InChIKeyQUMLBSQLGWXKMG-UHFFFAOYSA-N
MW350.06 g/mol
LogP1.18
Rot. Bonds3

About [9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid

[9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid (PubChem CID 10712802) has the molecular formula C16H10BF3O5 and a molecular weight of 350.06 g/mol. Its IUPAC name is [9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid.

Molecular Properties

Compound Name[9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid
PubChem CID10712802
Molecular FormulaC16H10BF3O5
Molecular Weight350.06 g/mol
Exact Mass350.06
IUPAC Name[9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid
SMILESO=C1c2cc(COC(=O)C(F)(F)F)ccc2-c2cc(B(O)O)ccc21
InChIInChI=1S/C16H10BF3O5/c18-16(19,20)15(22)25-7-8-1-3-10-12-6-9(17(23)24)2-4-11(12)14(21)13(10)5-8/h1-6,23-24H,7H2
InChIKeyQUMLBSQLGWXKMG-UHFFFAOYSA-N
XLogP1.18
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.06
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[(9,10-dioxoanthracen-2-yl)methyl] pentanedioate
CID 21120719
2-(aminooxymethyl)anthracene-9,10-dione
CID 11402535
acetic acid;benzyl 2,2,2-trifluoroacetate
CID 157158802
2,6-bis(hydroxymethyl)anthracene-9,10-dione
CID 68533927
(9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 137390827
(9,10-dioxoanthracen-2-yl)methyl 2-[[3-(1,1,1-trifluoropropan-2-yl)phenyl]methylsulfanyl]acetate
CID 135019776
2-(9-oxofluoren-3-yl)acetate
CID 156673919
(4-chlorophenyl)methyl 2-chloro-2,2-difluoroacetate
CID 10354991
[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]boronic acid
CID 89424308
2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one
CID 160739386
(2,4-dioxo-1H-pyrimidin-6-yl)methyl 2,2,2-trifluoroacetate
CID 137394679
[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]boronic acid
CID 53404092

Frequently Asked Questions

What is the IUPAC name of [9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid?
The IUPAC name of [9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid (CID 10712802) is [9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid.
What is the SMILES notation for [9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid?
The canonical SMILES for [9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid is O=C1c2cc(COC(=O)C(F)(F)F)ccc2-c2cc(B(O)O)ccc21.
What is the InChIKey of [9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid?
The InChIKey is QUMLBSQLGWXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BF3O5/c18-16(19,20)15(22)25-7-8-1-3-10-12-6-9(17(23)24)2-4-11(12)14(21)13(10)5-8/h1-6,23-24H,7H2.
What are the key properties of [9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid?
[9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid has a molecular weight of 350.06 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-oxo-7-[(2,2,2-trifluoroacetyl)oxymethyl]fluoren-3-yl]boronic acid is sourced from PubChem (CID 10712802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).