[2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate

C14H20FNO7 — CID 159326132

IUPAC[2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCCOCF
InChIInChI=1S/C14H20FNO7/c1-4-11(17)22-8-14(3,9-23-12(18)5-2)16-13(19)21-7-6-20-10-15/h4-5H,1-2,6-10H2,3H3,(H,16,19)
InChIKeyMTWHKMZXTJBHAJ-UHFFFAOYSA-N
MW333.31 g/mol
LogP0.87
Rot. Bonds11

About [2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate

[2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate (PubChem CID 159326132) has the molecular formula C14H20FNO7 and a molecular weight of 333.31 g/mol. Its IUPAC name is [2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
PubChem CID159326132
Molecular FormulaC14H20FNO7
Molecular Weight333.31 g/mol
Exact Mass333.12
IUPAC Name[2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCCOCF
InChIInChI=1S/C14H20FNO7/c1-4-11(17)22-8-14(3,9-23-12(18)5-2)16-13(19)21-7-6-20-10-15/h4-5H,1-2,6-10H2,3H3,(H,16,19)
InChIKeyMTWHKMZXTJBHAJ-UHFFFAOYSA-N
XLogP0.87
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?
The IUPAC name of [2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate (CID 159326132) is [2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate.
What is the SMILES notation for [2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?
The canonical SMILES for [2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate is C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCCOCF.
What is the InChIKey of [2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?
The InChIKey is MTWHKMZXTJBHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO7/c1-4-11(17)22-8-14(3,9-23-12(18)5-2)16-13(19)21-7-6-20-10-15/h4-5H,1-2,6-10H2,3H3,(H,16,19).
What are the key properties of [2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?
[2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate has a molecular weight of 333.31 g/mol, XLogP of 0.87, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate is sourced from PubChem (CID 159326132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).