methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate

C12H20F3NO3 — CID 79581939

IUPACmethyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C12H20F3NO3/c1-16-11(10(17)18-2)6-3-4-9(11)5-7-19-8-12(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeyJDJLBQALWJGZJR-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.89
Rot. Bonds6

About methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate

methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate (PubChem CID 79581939) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
PubChem CID79581939
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Namemethyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C12H20F3NO3/c1-16-11(10(17)18-2)6-3-4-9(11)5-7-19-8-12(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeyJDJLBQALWJGZJR-UHFFFAOYSA-N
XLogP1.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate (CID 79581939) is methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCCC1CCOCC(F)(F)F.
What is the InChIKey of methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
The InChIKey is JDJLBQALWJGZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-16-11(10(17)18-2)6-3-4-9(11)5-7-19-8-12(13,14)15/h9,16H,3-8H2,1-2H3.
What are the key properties of methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79581939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).