2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate

C8H12FNO4 — CID 59812351

IUPAC2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCF
InChIInChI=1S/C8H12FNO4/c1-6(2)7(11)13-4-3-10-8(12)14-5-9/h1,3-5H2,2H3,(H,10,12)
InChIKeyMFEGVJRLTQPBNB-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.76
Rot. Bonds5

About 2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate

2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate (PubChem CID 59812351) has the molecular formula C8H12FNO4 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate
PubChem CID59812351
Molecular FormulaC8H12FNO4
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCF
InChIInChI=1S/C8H12FNO4/c1-6(2)7(11)13-4-3-10-8(12)14-5-9/h1,3-5H2,2H3,(H,10,12)
InChIKeyMFEGVJRLTQPBNB-UHFFFAOYSA-N
XLogP0.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate (CID 59812351) is 2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCF.
What is the InChIKey of 2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is MFEGVJRLTQPBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO4/c1-6(2)7(11)13-4-3-10-8(12)14-5-9/h1,3-5H2,2H3,(H,10,12).
What are the key properties of 2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate?
2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 205.18 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 59812351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).