methyl 4-[2-(fluoroamino)ethoxy]benzoate

C10H12FNO3 — CID 143872134

IUPACmethyl 4-[2-(fluoroamino)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCNF)cc1
InChIInChI=1S/C10H12FNO3/c1-14-10(13)8-2-4-9(5-3-8)15-7-6-12-11/h2-5,12H,6-7H2,1H3
InChIKeyRRVUVKXPFJUGIE-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.33
Rot. Bonds5

About methyl 4-[2-(fluoroamino)ethoxy]benzoate

methyl 4-[2-(fluoroamino)ethoxy]benzoate (PubChem CID 143872134) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl 4-[2-(fluoroamino)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(fluoroamino)ethoxy]benzoate
PubChem CID143872134
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl 4-[2-(fluoroamino)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCNF)cc1
InChIInChI=1S/C10H12FNO3/c1-14-10(13)8-2-4-9(5-3-8)15-7-6-12-11/h2-5,12H,6-7H2,1H3
InChIKeyRRVUVKXPFJUGIE-UHFFFAOYSA-N
XLogP1.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
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methyl 4-[3-(4-nitroanilino)propoxy]benzoate
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methyl 4-(4-oxopentoxy)benzoate
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methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
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methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419
methyl 4-(4-propanoyloxybutoxy)benzoate
CID 58898433
methyl 4-[12-[12-(4-methoxycarbonylphenoxy)dodecyldisulfanyl]dodecoxy]benzoate
CID 102033956
methyl 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 177055235
methyl 4-(2-amino-2-methylpropoxy)benzoate
CID 117053561

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(fluoroamino)ethoxy]benzoate?
The IUPAC name of methyl 4-[2-(fluoroamino)ethoxy]benzoate (CID 143872134) is methyl 4-[2-(fluoroamino)ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-(fluoroamino)ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-(fluoroamino)ethoxy]benzoate is COC(=O)c1ccc(OCCNF)cc1.
What is the InChIKey of methyl 4-[2-(fluoroamino)ethoxy]benzoate?
The InChIKey is RRVUVKXPFJUGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-14-10(13)8-2-4-9(5-3-8)15-7-6-12-11/h2-5,12H,6-7H2,1H3.
What are the key properties of methyl 4-[2-(fluoroamino)ethoxy]benzoate?
methyl 4-[2-(fluoroamino)ethoxy]benzoate has a molecular weight of 213.21 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(fluoroamino)ethoxy]benzoate is sourced from PubChem (CID 143872134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).