3-fluoro-2-(furan-2-yl)benzoic acid

C11H7FO3 — CID 168524438

IUPAC3-fluoro-2-(furan-2-yl)benzoic acid
SMILESO=C(O)c1cccc(F)c1-c1ccco1
InChIInChI=1S/C11H7FO3/c12-8-4-1-3-7(11(13)14)10(8)9-5-2-6-15-9/h1-6H,(H,13,14)
InChIKeyOQZGOAMQVACZAN-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.78
Rot. Bonds2

About 3-fluoro-2-(furan-2-yl)benzoic acid

3-fluoro-2-(furan-2-yl)benzoic acid (PubChem CID 168524438) has the molecular formula C11H7FO3 and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-fluoro-2-(furan-2-yl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(furan-2-yl)benzoic acid
PubChem CID168524438
Molecular FormulaC11H7FO3
Molecular Weight206.17 g/mol
Exact Mass206.04
IUPAC Name3-fluoro-2-(furan-2-yl)benzoic acid
SMILESO=C(O)c1cccc(F)c1-c1ccco1
InChIInChI=1S/C11H7FO3/c12-8-4-1-3-7(11(13)14)10(8)9-5-2-6-15-9/h1-6H,(H,13,14)
InChIKeyOQZGOAMQVACZAN-UHFFFAOYSA-N
XLogP2.78
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(furan-2-yl)-N-methylbenzamide
CID 168527432
2-(2,3-difluorophenyl)-3-fluorobenzoic acid
CID 134630571
2-amino-3-(furan-2-yl)benzoic acid
CID 10798178
3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 67086588
5-cyano-2-(furan-2-yl)-3-methylbenzoic acid
CID 168528431
3-fluoro-2-(furan-2-ylmethylsulfanyl)benzoic acid
CID 62648594
2-(2,3,4,5,6-pentafluorophenyl)furan
CID 14644888
2-(2-fluoro-6-propan-2-yloxyphenyl)furan
CID 168526834
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573
2-(furan-2-yl)furan-3,4-dicarboxylic acid
CID 153344951
[5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 87218532
3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 134631215

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(furan-2-yl)benzoic acid?
The IUPAC name of 3-fluoro-2-(furan-2-yl)benzoic acid (CID 168524438) is 3-fluoro-2-(furan-2-yl)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(furan-2-yl)benzoic acid?
The canonical SMILES for 3-fluoro-2-(furan-2-yl)benzoic acid is O=C(O)c1cccc(F)c1-c1ccco1.
What is the InChIKey of 3-fluoro-2-(furan-2-yl)benzoic acid?
The InChIKey is OQZGOAMQVACZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO3/c12-8-4-1-3-7(11(13)14)10(8)9-5-2-6-15-9/h1-6H,(H,13,14).
What are the key properties of 3-fluoro-2-(furan-2-yl)benzoic acid?
3-fluoro-2-(furan-2-yl)benzoic acid has a molecular weight of 206.17 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(furan-2-yl)benzoic acid is sourced from PubChem (CID 168524438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).