2-benzoylbenzoic acid;hydrofluoride

C14H11FO3 — CID 70485904

IUPAC2-benzoylbenzoic acid;hydrofluoride
SMILESF.O=C(O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C14H10O3.FH/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;/h1-9H,(H,16,17);1H
InChIKeyHRNXGQNMHTXWGC-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.77
Rot. Bonds3

About 2-benzoylbenzoic acid;hydrofluoride

2-benzoylbenzoic acid;hydrofluoride (PubChem CID 70485904) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-benzoylbenzoic acid;hydrofluoride.

Molecular Properties

Compound Name2-benzoylbenzoic acid;hydrofluoride
PubChem CID70485904
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name2-benzoylbenzoic acid;hydrofluoride
SMILESF.O=C(O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C14H10O3.FH/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;/h1-9H,(H,16,17);1H
InChIKeyHRNXGQNMHTXWGC-UHFFFAOYSA-N
XLogP2.77
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-benzoylbenzoic acid;hydrofluoride?
The IUPAC name of 2-benzoylbenzoic acid;hydrofluoride (CID 70485904) is 2-benzoylbenzoic acid;hydrofluoride.
What is the SMILES notation for 2-benzoylbenzoic acid;hydrofluoride?
The canonical SMILES for 2-benzoylbenzoic acid;hydrofluoride is F.O=C(O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoylbenzoic acid;hydrofluoride?
The InChIKey is HRNXGQNMHTXWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3.FH/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;/h1-9H,(H,16,17);1H.
What are the key properties of 2-benzoylbenzoic acid;hydrofluoride?
2-benzoylbenzoic acid;hydrofluoride has a molecular weight of 246.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoylbenzoic acid;hydrofluoride is sourced from PubChem (CID 70485904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).