nonyl 4-amino-2-fluorobenzoate

C16H24FNO2 — CID 63450769

IUPACnonyl 4-amino-2-fluorobenzoate
SMILESCCCCCCCCCOC(=O)c1ccc(N)cc1F
InChIInChI=1S/C16H24FNO2/c1-2-3-4-5-6-7-8-11-20-16(19)14-10-9-13(18)12-15(14)17/h9-10,12H,2-8,11,18H2,1H3
InChIKeyMIDPNLNTGTXNEA-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.32
Rot. Bonds9

About nonyl 4-amino-2-fluorobenzoate

nonyl 4-amino-2-fluorobenzoate (PubChem CID 63450769) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is nonyl 4-amino-2-fluorobenzoate.

Molecular Properties

Compound Namenonyl 4-amino-2-fluorobenzoate
PubChem CID63450769
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Namenonyl 4-amino-2-fluorobenzoate
SMILESCCCCCCCCCOC(=O)c1ccc(N)cc1F
InChIInChI=1S/C16H24FNO2/c1-2-3-4-5-6-7-8-11-20-16(19)14-10-9-13(18)12-15(14)17/h9-10,12H,2-8,11,18H2,1H3
InChIKeyMIDPNLNTGTXNEA-UHFFFAOYSA-N
XLogP4.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

icosyl 2,4-difluorobenzoate
CID 91723271
3-fluoropropyl 4-amino-2-fluorobenzoate
CID 81113664
4-amino-2-hexoxycarbonylbenzoic acid
CID 101454574
5-amino-2-octoxycarbonylbenzoic acid
CID 141472571
2-propoxyethyl 4-amino-2-fluorobenzoate
CID 55231855
1-O-ethyl 2-O-hexyl 4-aminobenzene-1,2-dicarboxylate
CID 70177918
hexyl 5-amino-2-(4-amino-2-hexoxycarbonylphenyl)benzoate
CID 100954905
3-ethylsulfanylpropyl 4-amino-2-fluorobenzoate
CID 113337903
nonyl 4-amino-2,5-difluorobenzoate
CID 104700308
tridecyl 2-fluorobenzoate
CID 579690
pentyl 5-amino-2-hydroxybenzoate
CID 61302134
nonyl 5-amino-2-methoxybenzoate
CID 63450276

Frequently Asked Questions

What is the IUPAC name of nonyl 4-amino-2-fluorobenzoate?
The IUPAC name of nonyl 4-amino-2-fluorobenzoate (CID 63450769) is nonyl 4-amino-2-fluorobenzoate.
What is the SMILES notation for nonyl 4-amino-2-fluorobenzoate?
The canonical SMILES for nonyl 4-amino-2-fluorobenzoate is CCCCCCCCCOC(=O)c1ccc(N)cc1F.
What is the InChIKey of nonyl 4-amino-2-fluorobenzoate?
The InChIKey is MIDPNLNTGTXNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-3-4-5-6-7-8-11-20-16(19)14-10-9-13(18)12-15(14)17/h9-10,12H,2-8,11,18H2,1H3.
What are the key properties of nonyl 4-amino-2-fluorobenzoate?
nonyl 4-amino-2-fluorobenzoate has a molecular weight of 281.37 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 4-amino-2-fluorobenzoate is sourced from PubChem (CID 63450769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).