2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate

C9H11F6NO4 — CID 603532

IUPAC2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
SMILESCN(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F
InChIInChI=1S/C9H11F6NO4/c1-16(2-4-19-6(17)8(10,11)12)3-5-20-7(18)9(13,14)15/h2-5H2,1H3
InChIKeySHAVMYVCWIADET-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.13
Rot. Bonds6

About 2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate

2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate (PubChem CID 603532) has the molecular formula C9H11F6NO4 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
PubChem CID603532
Molecular FormulaC9H11F6NO4
Molecular Weight311.18 g/mol
Exact Mass311.06
IUPAC Name2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
SMILESCN(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F
InChIInChI=1S/C9H11F6NO4/c1-16(2-4-19-6(17)8(10,11)12)3-5-20-7(18)9(13,14)15/h2-5H2,1H3
InChIKeySHAVMYVCWIADET-UHFFFAOYSA-N
XLogP1.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate (CID 603532) is 2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate is CN(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F.
What is the InChIKey of 2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The InChIKey is SHAVMYVCWIADET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6NO4/c1-16(2-4-19-6(17)8(10,11)12)3-5-20-7(18)9(13,14)15/h2-5H2,1H3.
What are the key properties of 2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate has a molecular weight of 311.18 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 603532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).