4-aminobenzoic acid;hydrofluoride

C7H8FNO2 — CID 159690577

IUPAC4-aminobenzoic acid;hydrofluoride
SMILESF.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO2.FH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);1H
InChIKeyFJSNAMQUAUFRQG-UHFFFAOYSA-N
MW157.14 g/mol
LogP1.12
Rot. Bonds1

About 4-aminobenzoic acid;hydrofluoride

4-aminobenzoic acid;hydrofluoride (PubChem CID 159690577) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 4-aminobenzoic acid;hydrofluoride.

Molecular Properties

Compound Name4-aminobenzoic acid;hydrofluoride
PubChem CID159690577
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name4-aminobenzoic acid;hydrofluoride
SMILESF.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO2.FH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);1H
InChIKeyFJSNAMQUAUFRQG-UHFFFAOYSA-N
XLogP1.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(4-aminobenzoic acid);ethene
CID 158776608
hexakis(4-aminobenzoic acid);tris(1,4,7,10,13,16-hexaoxacyclooctadecane)
CID 139064226
4-aminobenzoic acid;cyclohexane-1,2,3,4,5,6-hexol
CID 67913871
terephthalic acid;dihydrofluoride
CID 70485309
bis(4-aminobenzoic acid);oxolane
CID 66588912
bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate
CID 6395154
terephthalic acid
CID 160582437
4-amino-3-deuteriobenzoic acid
CID 175767328
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
4-aminobenzoic acid;1,3-diazinane-2,4,6-trione
CID 139205213
4-[4-(4-aminophenyl)buta-1,3-dienyl]benzoic acid
CID 142780998
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzoic acid;hydrofluoride?
The IUPAC name of 4-aminobenzoic acid;hydrofluoride (CID 159690577) is 4-aminobenzoic acid;hydrofluoride.
What is the SMILES notation for 4-aminobenzoic acid;hydrofluoride?
The canonical SMILES for 4-aminobenzoic acid;hydrofluoride is F.Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-aminobenzoic acid;hydrofluoride?
The InChIKey is FJSNAMQUAUFRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.FH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);1H.
What are the key properties of 4-aminobenzoic acid;hydrofluoride?
4-aminobenzoic acid;hydrofluoride has a molecular weight of 157.14 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzoic acid;hydrofluoride is sourced from PubChem (CID 159690577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).