[2-(difluoromethoxy)ethylamino] benzoate

C10H11F2NO3 — CID 163530382

IUPAC[2-(difluoromethoxy)ethylamino] benzoate
SMILESO=C(ONCCOC(F)F)c1ccccc1
InChIInChI=1S/C10H11F2NO3/c11-10(12)15-7-6-13-16-9(14)8-4-2-1-3-5-8/h1-5,10,13H,6-7H2
InChIKeyDSMDJINNYZWEJV-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.59
Rot. Bonds6

About [2-(difluoromethoxy)ethylamino] benzoate

[2-(difluoromethoxy)ethylamino] benzoate (PubChem CID 163530382) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is [2-(difluoromethoxy)ethylamino] benzoate.

Molecular Properties

Compound Name[2-(difluoromethoxy)ethylamino] benzoate
PubChem CID163530382
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name[2-(difluoromethoxy)ethylamino] benzoate
SMILESO=C(ONCCOC(F)F)c1ccccc1
InChIInChI=1S/C10H11F2NO3/c11-10(12)15-7-6-13-16-9(14)8-4-2-1-3-5-8/h1-5,10,13H,6-7H2
InChIKeyDSMDJINNYZWEJV-UHFFFAOYSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-phenylpropylamino) benzoate
CID 87745139
[2-[(4R)-4-hydroxypyrrolidin-3-yl]ethylamino] benzoate
CID 163737492
2-[2-(difluoromethoxy)ethylsulfanyl]-1-phenylethanone
CID 140992676
[[(2S)-2-amino-3-hydroxypropanoyl]amino] benzoate
CID 86740598
[[5-(benzoyloxyamino)-6-(methylamino)-6-oxohexyl]amino] benzoate
CID 134386730
[3-(5-hydroxypentanoylamino)propylamino] benzoate
CID 126587234
[[4,6-bis(benzoyloxyamino)-1,3,5-triazin-2-yl]amino] benzoate
CID 90935192
methyl 4-[2-[2-[2-[2-[2-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoyl]benzoate
CID 140747936
2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one
CID 66790366
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
3-benzoyloxy-3-oxopropanoic acid
CID 19743192
2-(methylamino)ethyl benzoate
CID 158644589

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)ethylamino] benzoate?
The IUPAC name of [2-(difluoromethoxy)ethylamino] benzoate (CID 163530382) is [2-(difluoromethoxy)ethylamino] benzoate.
What is the SMILES notation for [2-(difluoromethoxy)ethylamino] benzoate?
The canonical SMILES for [2-(difluoromethoxy)ethylamino] benzoate is O=C(ONCCOC(F)F)c1ccccc1.
What is the InChIKey of [2-(difluoromethoxy)ethylamino] benzoate?
The InChIKey is DSMDJINNYZWEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-10(12)15-7-6-13-16-9(14)8-4-2-1-3-5-8/h1-5,10,13H,6-7H2.
What are the key properties of [2-(difluoromethoxy)ethylamino] benzoate?
[2-(difluoromethoxy)ethylamino] benzoate has a molecular weight of 231.20 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)ethylamino] benzoate is sourced from PubChem (CID 163530382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).