methyl 2-(2,2,2-trifluoroethylamino)pentanoate

C8H14F3NO2 — CID 60997985

IUPACmethyl 2-(2,2,2-trifluoroethylamino)pentanoate
SMILESCCCC(NCC(F)(F)F)C(=O)OC
InChIInChI=1S/C8H14F3NO2/c1-3-4-6(7(13)14-2)12-5-8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyIVSKCBCOOBOSMD-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.48
Rot. Bonds5

About methyl 2-(2,2,2-trifluoroethylamino)pentanoate

methyl 2-(2,2,2-trifluoroethylamino)pentanoate (PubChem CID 60997985) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is methyl 2-(2,2,2-trifluoroethylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-(2,2,2-trifluoroethylamino)pentanoate
PubChem CID60997985
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Namemethyl 2-(2,2,2-trifluoroethylamino)pentanoate
SMILESCCCC(NCC(F)(F)F)C(=O)OC
InChIInChI=1S/C8H14F3NO2/c1-3-4-6(7(13)14-2)12-5-8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyIVSKCBCOOBOSMD-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,2-trifluoroethylamino)pentanoate?
The IUPAC name of methyl 2-(2,2,2-trifluoroethylamino)pentanoate (CID 60997985) is methyl 2-(2,2,2-trifluoroethylamino)pentanoate.
What is the SMILES notation for methyl 2-(2,2,2-trifluoroethylamino)pentanoate?
The canonical SMILES for methyl 2-(2,2,2-trifluoroethylamino)pentanoate is CCCC(NCC(F)(F)F)C(=O)OC.
What is the InChIKey of methyl 2-(2,2,2-trifluoroethylamino)pentanoate?
The InChIKey is IVSKCBCOOBOSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-4-6(7(13)14-2)12-5-8(9,10)11/h6,12H,3-5H2,1-2H3.
What are the key properties of methyl 2-(2,2,2-trifluoroethylamino)pentanoate?
methyl 2-(2,2,2-trifluoroethylamino)pentanoate has a molecular weight of 213.20 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,2-trifluoroethylamino)pentanoate is sourced from PubChem (CID 60997985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).