2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate

C9H15F2NO3 — CID 89379268

IUPAC2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCC(F)(F)OC
InChIInChI=1S/C9H15F2NO3/c1-7(2)8(13)15-5-4-12-6-9(10,11)14-3/h12H,1,4-6H2,2-3H3
InChIKeyKYMDWXCKMIHAFJ-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.93
Rot. Bonds7

About 2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate

2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 89379268) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID89379268
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCC(F)(F)OC
InChIInChI=1S/C9H15F2NO3/c1-7(2)8(13)15-5-4-12-6-9(10,11)14-3/h12H,1,4-6H2,2-3H3
InChIKeyKYMDWXCKMIHAFJ-UHFFFAOYSA-N
XLogP0.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.93
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-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate (CID 89379268) is 2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNCC(F)(F)OC.
What is the InChIKey of 2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is KYMDWXCKMIHAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-7(2)8(13)15-5-4-12-6-9(10,11)14-3/h12H,1,4-6H2,2-3H3.
What are the key properties of 2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate?
2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 223.22 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-2-methoxyethyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 89379268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).