ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate

C8H14F3NO2 — CID 14548437

IUPACethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate
SMILESCCOC(=O)C(N)CC(C)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-14-7(13)6(12)4-5(2)8(9,10)11/h5-6H,3-4,12H2,1-2H3
InChIKeyOPWOYLNIPKFMDA-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.47
Rot. Bonds4

About ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate

ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate (PubChem CID 14548437) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate
PubChem CID14548437
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Nameethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate
SMILESCCOC(=O)C(N)CC(C)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-14-7(13)6(12)4-5(2)8(9,10)11/h5-6H,3-4,12H2,1-2H3
InChIKeyOPWOYLNIPKFMDA-UHFFFAOYSA-N
XLogP1.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate?
The IUPAC name of ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate (CID 14548437) is ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate?
The canonical SMILES for ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate is CCOC(=O)C(N)CC(C)C(F)(F)F.
What is the InChIKey of ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate?
The InChIKey is OPWOYLNIPKFMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-14-7(13)6(12)4-5(2)8(9,10)11/h5-6H,3-4,12H2,1-2H3.
What are the key properties of ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate?
ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate has a molecular weight of 213.20 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate is sourced from PubChem (CID 14548437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).