ethanamine;ethyl 2,2,2-trifluoroacetate

C6H12F3NO2 — CID 175236320

IUPACethanamine;ethyl 2,2,2-trifluoroacetate
SMILESCCN.CCOC(=O)C(F)(F)F
InChIInChI=1S/C4H5F3O2.C2H7N/c1-2-9-3(8)4(5,6)7;1-2-3/h2H2,1H3;2-3H2,1H3
InChIKeyMNPPMJNKDMXRLE-UHFFFAOYSA-N
MW187.16 g/mol
LogP1.08
Rot. Bonds1

About ethanamine;ethyl 2,2,2-trifluoroacetate

ethanamine;ethyl 2,2,2-trifluoroacetate (PubChem CID 175236320) has the molecular formula C6H12F3NO2 and a molecular weight of 187.16 g/mol. Its IUPAC name is ethanamine;ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nameethanamine;ethyl 2,2,2-trifluoroacetate
PubChem CID175236320
Molecular FormulaC6H12F3NO2
Molecular Weight187.16 g/mol
Exact Mass187.08
IUPAC Nameethanamine;ethyl 2,2,2-trifluoroacetate
SMILESCCN.CCOC(=O)C(F)(F)F
InChIInChI=1S/C4H5F3O2.C2H7N/c1-2-9-3(8)4(5,6)7;1-2-3/h2H2,1H3;2-3H2,1H3
InChIKeyMNPPMJNKDMXRLE-UHFFFAOYSA-N
XLogP1.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanamine;ethyl 2,2,2-trifluoroacetate?
The IUPAC name of ethanamine;ethyl 2,2,2-trifluoroacetate (CID 175236320) is ethanamine;ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for ethanamine;ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for ethanamine;ethyl 2,2,2-trifluoroacetate is CCN.CCOC(=O)C(F)(F)F.
What is the InChIKey of ethanamine;ethyl 2,2,2-trifluoroacetate?
The InChIKey is MNPPMJNKDMXRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2.C2H7N/c1-2-9-3(8)4(5,6)7;1-2-3/h2H2,1H3;2-3H2,1H3.
What are the key properties of ethanamine;ethyl 2,2,2-trifluoroacetate?
ethanamine;ethyl 2,2,2-trifluoroacetate has a molecular weight of 187.16 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 175236320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).