2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate

C11H14F5NO4 — CID 89309610

IUPAC2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(F)(F)CNCC(F)(F)F
InChIInChI=1S/C11H14F5NO4/c1-7(2)8(18)20-3-4-21-9(19)10(12,13)5-17-6-11(14,15)16/h17H,1,3-6H2,2H3
InChIKeyVQZGPBZHWBUDLQ-UHFFFAOYSA-N
MW319.23 g/mol
LogP1.44
Rot. Bonds8

About 2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate

2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate (PubChem CID 89309610) has the molecular formula C11H14F5NO4 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate
PubChem CID89309610
Molecular FormulaC11H14F5NO4
Molecular Weight319.23 g/mol
Exact Mass319.08
IUPAC Name2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(F)(F)CNCC(F)(F)F
InChIInChI=1S/C11H14F5NO4/c1-7(2)8(18)20-3-4-21-9(19)10(12,13)5-17-6-11(14,15)16/h17H,1,3-6H2,2H3
InChIKeyVQZGPBZHWBUDLQ-UHFFFAOYSA-N
XLogP1.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

CID 89397840
CID 89397840
CID 103250360
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CID 103260445
CID 103260445
CID 141764449
CID 141764449
CID 170019521
CID 170019521
CID 103235330
CID 103235330
CID 103261931
CID 103261931
CID 105942358
CID 105942358
CID 106178242
CID 106178242
CID 106294404
CID 106294404
CID 144145602
CID 144145602
CID 144283238
CID 144283238

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate (CID 89309610) is 2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)C(F)(F)CNCC(F)(F)F.
What is the InChIKey of 2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate?
The InChIKey is VQZGPBZHWBUDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F5NO4/c1-7(2)8(18)20-3-4-21-9(19)10(12,13)5-17-6-11(14,15)16/h17H,1,3-6H2,2H3.
What are the key properties of 2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate?
2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate has a molecular weight of 319.23 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-3-(2,2,2-trifluoroethylamino)propanoyl]oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 89309610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).