methyl 2-(2-fluoroanilino)-2-methylnonanoate

C17H26FNO2 — CID 63525929

IUPACmethyl 2-(2-fluoroanilino)-2-methylnonanoate
SMILESCCCCCCCC(C)(Nc1ccccc1F)C(=O)OC
InChIInChI=1S/C17H26FNO2/c1-4-5-6-7-10-13-17(2,16(20)21-3)19-15-12-9-8-11-14(15)18/h8-9,11-12,19H,4-7,10,13H2,1-3H3
InChIKeyDKEFAMKSJYFGAQ-UHFFFAOYSA-N
MW295.40 g/mol
LogP4.53
Rot. Bonds9

About methyl 2-(2-fluoroanilino)-2-methylnonanoate

methyl 2-(2-fluoroanilino)-2-methylnonanoate (PubChem CID 63525929) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is methyl 2-(2-fluoroanilino)-2-methylnonanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluoroanilino)-2-methylnonanoate
PubChem CID63525929
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Namemethyl 2-(2-fluoroanilino)-2-methylnonanoate
SMILESCCCCCCCC(C)(Nc1ccccc1F)C(=O)OC
InChIInChI=1S/C17H26FNO2/c1-4-5-6-7-10-13-17(2,16(20)21-3)19-15-12-9-8-11-14(15)18/h8-9,11-12,19H,4-7,10,13H2,1-3H3
InChIKeyDKEFAMKSJYFGAQ-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-fluoroanilino)-2-methylheptanoate
CID 80557964
methyl 2-methyl-2-(2-methylanilino)heptanoate
CID 80558078
methyl 2-anilino-2-methyloctanoate
CID 54890030
methyl 2-(2-fluoroanilino)-2-propylpentanoate
CID 54890183
methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate
CID 113490114
2-(2-fluoroanilino)-2-methylnonan-1-ol
CID 55198849
methyl 2-methyl-2-(3-methylanilino)octanoate
CID 63524625
methyl 2-ethyl-2-(2-fluoroanilino)butanoate
CID 54890887
2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
CID 65376902
methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate
CID 81265264
ethyl 2-anilino-2-methylheptanoate
CID 80558019
octadecyl 2-(2-fluoroanilino)-2-oxoacetate
CID 6422180

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoroanilino)-2-methylnonanoate?
The IUPAC name of methyl 2-(2-fluoroanilino)-2-methylnonanoate (CID 63525929) is methyl 2-(2-fluoroanilino)-2-methylnonanoate.
What is the SMILES notation for methyl 2-(2-fluoroanilino)-2-methylnonanoate?
The canonical SMILES for methyl 2-(2-fluoroanilino)-2-methylnonanoate is CCCCCCCC(C)(Nc1ccccc1F)C(=O)OC.
What is the InChIKey of methyl 2-(2-fluoroanilino)-2-methylnonanoate?
The InChIKey is DKEFAMKSJYFGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-4-5-6-7-10-13-17(2,16(20)21-3)19-15-12-9-8-11-14(15)18/h8-9,11-12,19H,4-7,10,13H2,1-3H3.
What are the key properties of methyl 2-(2-fluoroanilino)-2-methylnonanoate?
methyl 2-(2-fluoroanilino)-2-methylnonanoate has a molecular weight of 295.40 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoroanilino)-2-methylnonanoate is sourced from PubChem (CID 63525929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).