5-(3-bromofuran-2-yl)-2-fluorobenzoic acid

C11H6BrFO3 — CID 63947781

IUPAC5-(3-bromofuran-2-yl)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(-c2occc2Br)ccc1F
InChIInChI=1S/C11H6BrFO3/c12-8-3-4-16-10(8)6-1-2-9(13)7(5-6)11(14)15/h1-5H,(H,14,15)
InChIKeyPOHWAVJQWNDALX-UHFFFAOYSA-N
MW285.07 g/mol
LogP3.55
Rot. Bonds2

About 5-(3-bromofuran-2-yl)-2-fluorobenzoic acid

5-(3-bromofuran-2-yl)-2-fluorobenzoic acid (PubChem CID 63947781) has the molecular formula C11H6BrFO3 and a molecular weight of 285.07 g/mol. Its IUPAC name is 5-(3-bromofuran-2-yl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(3-bromofuran-2-yl)-2-fluorobenzoic acid
PubChem CID63947781
Molecular FormulaC11H6BrFO3
Molecular Weight285.07 g/mol
Exact Mass283.95
IUPAC Name5-(3-bromofuran-2-yl)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(-c2occc2Br)ccc1F
InChIInChI=1S/C11H6BrFO3/c12-8-3-4-16-10(8)6-1-2-9(13)7(5-6)11(14)15/h1-5H,(H,14,15)
InChIKeyPOHWAVJQWNDALX-UHFFFAOYSA-N
XLogP3.55
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-(4-sulfamoylphenyl)benzoic acid
CID 110453860
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
2-fluoro-5-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225685
2-(3-bromofuran-2-yl)-5-methoxybenzoic acid
CID 63950223
5-bromo-2-fluorobenzoic acid;2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)benzoic acid
CID 157176978
2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid
CID 53225743
2-fluoro-5-(1,3-thiazol-4-yl)benzoic acid
CID 130878805
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
CID 64984855
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
5-(4-cyanophenyl)-2-fluorobenzoic acid
CID 53225083
2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid
CID 115050945
3-bromo-2-(3-bromofuran-2-yl)furan
CID 626140

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromofuran-2-yl)-2-fluorobenzoic acid?
The IUPAC name of 5-(3-bromofuran-2-yl)-2-fluorobenzoic acid (CID 63947781) is 5-(3-bromofuran-2-yl)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(3-bromofuran-2-yl)-2-fluorobenzoic acid?
The canonical SMILES for 5-(3-bromofuran-2-yl)-2-fluorobenzoic acid is O=C(O)c1cc(-c2occc2Br)ccc1F.
What is the InChIKey of 5-(3-bromofuran-2-yl)-2-fluorobenzoic acid?
The InChIKey is POHWAVJQWNDALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFO3/c12-8-3-4-16-10(8)6-1-2-9(13)7(5-6)11(14)15/h1-5H,(H,14,15).
What are the key properties of 5-(3-bromofuran-2-yl)-2-fluorobenzoic acid?
5-(3-bromofuran-2-yl)-2-fluorobenzoic acid has a molecular weight of 285.07 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromofuran-2-yl)-2-fluorobenzoic acid is sourced from PubChem (CID 63947781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).