5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid

C12H8F2O3 — CID 82820130

IUPAC5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid
SMILESCc1ccc(F)c(-c2ccc(C(=O)O)o2)c1F
InChIInChI=1S/C12H8F2O3/c1-6-2-3-7(13)10(11(6)14)8-4-5-9(17-8)12(15)16/h2-5H,1H3,(H,15,16)
InChIKeyBJVGIAJHCFQWRX-UHFFFAOYSA-N
MW238.19 g/mol
LogP3.23
Rot. Bonds2

About 5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid

5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid (PubChem CID 82820130) has the molecular formula C12H8F2O3 and a molecular weight of 238.19 g/mol. Its IUPAC name is 5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid
PubChem CID82820130
Molecular FormulaC12H8F2O3
Molecular Weight238.19 g/mol
Exact Mass238.04
IUPAC Name5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid
SMILESCc1ccc(F)c(-c2ccc(C(=O)O)o2)c1F
InChIInChI=1S/C12H8F2O3/c1-6-2-3-7(13)10(11(6)14)8-4-5-9(17-8)12(15)16/h2-5H,1H3,(H,15,16)
InChIKeyBJVGIAJHCFQWRX-UHFFFAOYSA-N
XLogP3.23
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid
CID 63424237
5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid
CID 165484131
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
5-(4-fluoro-3-methylbenzoyl)furan-2-carboxylic acid
CID 106946779
5-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxylic acid
CID 63810885
5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid
CID 103434041
5-(3-cyano-4-fluorophenyl)furan-2-carboxylic acid
CID 58985443
1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone
CID 62500345
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-(4-methoxy-2-methylphenyl)furan-2-carboxylic acid
CID 62502482
4-(2,6-difluoro-3-methylphenyl)-3-fluorobenzoic acid
CID 82822983

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid (CID 82820130) is 5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid is Cc1ccc(F)c(-c2ccc(C(=O)O)o2)c1F.
What is the InChIKey of 5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid?
The InChIKey is BJVGIAJHCFQWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O3/c1-6-2-3-7(13)10(11(6)14)8-4-5-9(17-8)12(15)16/h2-5H,1H3,(H,15,16).
What are the key properties of 5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid?
5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid has a molecular weight of 238.19 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 82820130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).