1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate

C9H14F3NO2 — CID 121325474

IUPAC1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CNCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-6(2)8(14)15-7(3)4-13-5-9(10,11)12/h7,13H,1,4-5H2,2-3H3
InChIKeyYFEIDUIEBNYGFA-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.65
Rot. Bonds5

About 1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate

1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate (PubChem CID 121325474) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate
PubChem CID121325474
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CNCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-6(2)8(14)15-7(3)4-13-5-9(10,11)12/h7,13H,1,4-5H2,2-3H3
InChIKeyYFEIDUIEBNYGFA-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate (CID 121325474) is 1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CNCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is YFEIDUIEBNYGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-6(2)8(14)15-7(3)4-13-5-9(10,11)12/h7,13H,1,4-5H2,2-3H3.
What are the key properties of 1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate?
1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 225.21 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 121325474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).