[1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride

C11H10F6N2O4 — CID 162621745

IUPAC[1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride
SMILES[H-].[NH3+]C(F)(Nc1ccc(C(=O)O)c(C(=O)O)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F6N2O4.H/c12-9(13,10(14,15)16)11(17,18)19-4-1-2-5(7(20)21)6(3-4)8(22)23;/h1-3,19H,18H2,(H,20,21)(H,22,23);/q;-1/p+1
InChIKeySZYXKHWWFODEGL-UHFFFAOYSA-O
MW348.20 g/mol
LogP1.67
Rot. Bonds5

About [1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride

[1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride (PubChem CID 162621745) has the molecular formula C11H10F6N2O4 and a molecular weight of 348.20 g/mol. Its IUPAC name is [1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride.

Molecular Properties

Compound Name[1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride
PubChem CID162621745
Molecular FormulaC11H10F6N2O4
Molecular Weight348.20 g/mol
Exact Mass348.05
IUPAC Name[1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride
SMILES[H-].[NH3+]C(F)(Nc1ccc(C(=O)O)c(C(=O)O)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F6N2O4.H/c12-9(13,10(14,15)16)11(17,18)19-4-1-2-5(7(20)21)6(3-4)8(22)23;/h1-3,19H,18H2,(H,20,21)(H,22,23);/q;-1/p+1
InChIKeySZYXKHWWFODEGL-UHFFFAOYSA-O
XLogP1.67
TPSA114.27 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3,4-dicarboxyphenyl)-1,1,2,2-tetrafluoroethyl]phthalic acid
CID 118000585
4-[(2-bromo-2-methylpropanoyl)amino]phthalic acid
CID 102492608
4-(tert-butylamino)-2-fluorobenzoic acid
CID 66789371
potassium;benzene-1,2,4,5-tetracarboxylic acid;hydride
CID 174674645
disodium;hydride;4-(octadecylamino)phthalic acid
CID 173436472
4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phthalic acid
CID 23501976
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
4-[1-(3,4-dicarboxyphenyl)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]phthalic acid
CID 141070674
4-(trifluoromethylsulfonyloxy)phthalic acid
CID 87855598
benzene-1,2,4,5-tetracarboxylic acid;lanthanum
CID 157172767
2-bromo-5-[4-(trifluoromethyl)anilino]benzoic acid
CID 115296056
CID 70563593
CID 70563593

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride?
The IUPAC name of [1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride (CID 162621745) is [1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride.
What is the SMILES notation for [1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride?
The canonical SMILES for [1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride is [H-].[NH3+]C(F)(Nc1ccc(C(=O)O)c(C(=O)O)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of [1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride?
The InChIKey is SZYXKHWWFODEGL-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H8F6N2O4.H/c12-9(13,10(14,15)16)11(17,18)19-4-1-2-5(7(20)21)6(3-4)8(22)23;/h1-3,19H,18H2,(H,20,21)(H,22,23);/q;-1/p+1.
What are the key properties of [1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride?
[1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride has a molecular weight of 348.20 g/mol, XLogP of 1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dicarboxyanilino)-1,2,2,3,3,3-hexafluoropropyl]azanium;hydride is sourced from PubChem (CID 162621745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).