2-anilino-5-fluoroterephthalic acid

C14H10FNO4 — CID 16748393

IUPAC2-anilino-5-fluoroterephthalic acid
SMILESO=C(O)c1cc(Nc2ccccc2)c(C(=O)O)cc1F
InChIInChI=1S/C14H10FNO4/c15-11-6-10(14(19)20)12(7-9(11)13(17)18)16-8-4-2-1-3-5-8/h1-7,16H,(H,17,18)(H,19,20)
InChIKeyUDZQJZBGBRBCDR-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.97
Rot. Bonds4

About 2-anilino-5-fluoroterephthalic acid

2-anilino-5-fluoroterephthalic acid (PubChem CID 16748393) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-anilino-5-fluoroterephthalic acid.

Molecular Properties

Compound Name2-anilino-5-fluoroterephthalic acid
PubChem CID16748393
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name2-anilino-5-fluoroterephthalic acid
SMILESO=C(O)c1cc(Nc2ccccc2)c(C(=O)O)cc1F
InChIInChI=1S/C14H10FNO4/c15-11-6-10(14(19)20)12(7-9(11)13(17)18)16-8-4-2-1-3-5-8/h1-7,16H,(H,17,18)(H,19,20)
InChIKeyUDZQJZBGBRBCDR-UHFFFAOYSA-N
XLogP2.97
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-difluoro-2-(3-fluoroanilino)benzoic acid
CID 22632872
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
5-(2-chloroanilino)-2-fluorobenzoic acid
CID 82536969
5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2-(2-fluoroanilino)-4-phenylbenzoic acid
CID 68958907
N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 170144431
2-fluoro-5-(2-methoxyanilino)benzoic acid
CID 82537069
4-anilino-5-(N-methylanilino)phthalic acid
CID 22918377

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-fluoroterephthalic acid?
The IUPAC name of 2-anilino-5-fluoroterephthalic acid (CID 16748393) is 2-anilino-5-fluoroterephthalic acid.
What is the SMILES notation for 2-anilino-5-fluoroterephthalic acid?
The canonical SMILES for 2-anilino-5-fluoroterephthalic acid is O=C(O)c1cc(Nc2ccccc2)c(C(=O)O)cc1F.
What is the InChIKey of 2-anilino-5-fluoroterephthalic acid?
The InChIKey is UDZQJZBGBRBCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-11-6-10(14(19)20)12(7-9(11)13(17)18)16-8-4-2-1-3-5-8/h1-7,16H,(H,17,18)(H,19,20).
What are the key properties of 2-anilino-5-fluoroterephthalic acid?
2-anilino-5-fluoroterephthalic acid has a molecular weight of 275.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-fluoroterephthalic acid is sourced from PubChem (CID 16748393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).