methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate

C10H16F3NO2 — CID 71917532

IUPACmethyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate
SMILESCOC(=O)CN(CC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H16F3NO2/c1-16-9(15)6-14(7-10(11,12)13)8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyKAYVGXNDEJASGN-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.97
Rot. Bonds4

About methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate

methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate (PubChem CID 71917532) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate
PubChem CID71917532
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Namemethyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate
SMILESCOC(=O)CN(CC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H16F3NO2/c1-16-9(15)6-14(7-10(11,12)13)8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyKAYVGXNDEJASGN-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate (CID 71917532) is methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate is COC(=O)CN(CC(F)(F)F)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate?
The InChIKey is KAYVGXNDEJASGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-16-9(15)6-14(7-10(11,12)13)8-4-2-3-5-8/h8H,2-7H2,1H3.
What are the key properties of methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate?
methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate has a molecular weight of 239.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate is sourced from PubChem (CID 71917532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).