ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate

C10H16F3NO3 — CID 61381384

IUPACethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-3-17-9(16)5-4-8(15)14(2)7-6-10(11,12)13/h3-7H2,1-2H3
InChIKeyPXXYJCSEOJLUMX-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.74
Rot. Bonds6

About ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate

ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate (PubChem CID 61381384) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate
PubChem CID61381384
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Nameethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-3-17-9(16)5-4-8(15)14(2)7-6-10(11,12)13/h3-7H2,1-2H3
InChIKeyPXXYJCSEOJLUMX-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate (CID 61381384) is ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(C)CCC(F)(F)F.
What is the InChIKey of ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate?
The InChIKey is PXXYJCSEOJLUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-3-17-9(16)5-4-8(15)14(2)7-6-10(11,12)13/h3-7H2,1-2H3.
What are the key properties of ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate?
ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate has a molecular weight of 255.24 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoate is sourced from PubChem (CID 61381384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).