CID 149008622

C7H4BFO2 — CID 149008622

IUPAC—
SMILES[B]c1ccc(F)cc1C(=O)O
InChIInChI=1S/C7H4BFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKeyOYQBKMVABKSVOP-UHFFFAOYSA-N
MW149.92 g/mol
LogP0.32
Rot. Bonds1

About CID 149008622

CID 149008622 (PubChem CID 149008622) has the molecular formula C7H4BFO2 and a molecular weight of 149.92 g/mol.

Molecular Properties

Compound NameCID 149008622
PubChem CID149008622
Molecular FormulaC7H4BFO2
Molecular Weight149.92 g/mol
Exact Mass150.03
IUPAC Name—
SMILES[B]c1ccc(F)cc1C(=O)O
InChIInChI=1S/C7H4BFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKeyOYQBKMVABKSVOP-UHFFFAOYSA-N
XLogP0.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.92
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-acetyl-5-fluorobenzoic acid
CID 117279010
2,4-difluorobenzoic acid;2,5-difluorobenzoic acid
CID 161054103
5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225681
2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid
CID 159908135
2-carbamothioyl-5-fluorobenzoic acid
CID 82670733
2-cyclopropyl-5-fluorobenzoic acid
CID 62490498
5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid
CID 53211223
2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
CID 105395623
5-fluoro-2-pyrrol-1-ylbenzoic acid
CID 24700120
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
2-ethyl-4-fluorobenzoic acid
CID 22101376
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035

Frequently Asked Questions

What is the IUPAC name of CID 149008622?
The IUPAC name of CID 149008622 (CID 149008622) is not available.
What is the SMILES notation for CID 149008622?
The canonical SMILES for CID 149008622 is [B]c1ccc(F)cc1C(=O)O.
What is the InChIKey of CID 149008622?
The InChIKey is OYQBKMVABKSVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11).
What are the key properties of CID 149008622?
CID 149008622 has a molecular weight of 149.92 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149008622 is sourced from PubChem (CID 149008622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).