2-amino-3-fluoro-5-phenylterephthalic acid

C14H10FNO4 — CID 175158436

IUPAC2-amino-3-fluoro-5-phenylterephthalic acid
SMILESNc1c(C(=O)O)cc(-c2ccccc2)c(C(=O)O)c1F
InChIInChI=1S/C14H10FNO4/c15-11-10(14(19)20)8(7-4-2-1-3-5-7)6-9(12(11)16)13(17)18/h1-6H,16H2,(H,17,18)(H,19,20)
InChIKeyBXABRUDMDDGVST-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.47
Rot. Bonds3

About 2-amino-3-fluoro-5-phenylterephthalic acid

2-amino-3-fluoro-5-phenylterephthalic acid (PubChem CID 175158436) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-amino-3-fluoro-5-phenylterephthalic acid.

Molecular Properties

Compound Name2-amino-3-fluoro-5-phenylterephthalic acid
PubChem CID175158436
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name2-amino-3-fluoro-5-phenylterephthalic acid
SMILESNc1c(C(=O)O)cc(-c2ccccc2)c(C(=O)O)c1F
InChIInChI=1S/C14H10FNO4/c15-11-10(14(19)20)8(7-4-2-1-3-5-7)6-9(12(11)16)13(17)18/h1-6H,16H2,(H,17,18)(H,19,20)
InChIKeyBXABRUDMDDGVST-UHFFFAOYSA-N
XLogP2.47
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-diphenylbenzene-1,2,3-tricarboxylic acid
CID 91377985
5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid
CID 139991262
2-aminoazulene-1-carboxylic acid
CID 139642161
2-amino-5-(4-amino-3,5-dicarboxy-2-hydroxyphenyl)-4-hydroxybenzene-1,3-dicarboxylic acid
CID 176902806
2-amino-4-chloro-3-fluorobenzoic acid
CID 28974171
3-phenylphthalic acid;dihydrobromide
CID 67683459
3-amino-2,4-difluoro-6-hydroxybenzoic acid
CID 84770911
5-amino-2,3-diphenylterephthalic acid
CID 174316349
disodium;4,5-diphenylphthalate
CID 134868371
2-iodyl-4,5-diphenylbenzene-1,3-dicarboxylic acid
CID 23357409
anthracene;3-phenylphthalic acid
CID 161382372
2-methyl-4-phenylbenzene-1,3-dicarboxylic acid;propan-2-one
CID 157214158

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-5-phenylterephthalic acid?
The IUPAC name of 2-amino-3-fluoro-5-phenylterephthalic acid (CID 175158436) is 2-amino-3-fluoro-5-phenylterephthalic acid.
What is the SMILES notation for 2-amino-3-fluoro-5-phenylterephthalic acid?
The canonical SMILES for 2-amino-3-fluoro-5-phenylterephthalic acid is Nc1c(C(=O)O)cc(-c2ccccc2)c(C(=O)O)c1F.
What is the InChIKey of 2-amino-3-fluoro-5-phenylterephthalic acid?
The InChIKey is BXABRUDMDDGVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-11-10(14(19)20)8(7-4-2-1-3-5-7)6-9(12(11)16)13(17)18/h1-6H,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-amino-3-fluoro-5-phenylterephthalic acid?
2-amino-3-fluoro-5-phenylterephthalic acid has a molecular weight of 275.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-5-phenylterephthalic acid is sourced from PubChem (CID 175158436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).