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

C11H18F3NO3 — CID 79581623

IUPACmethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-17-9(16)10(15)5-2-3-8(10)4-6-18-7-11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyOXFMZQSEHROZLK-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.63
Rot. Bonds5

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

methyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate (PubChem CID 79581623) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
PubChem CID79581623
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Namemethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-17-9(16)10(15)5-2-3-8(10)4-6-18-7-11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyOXFMZQSEHROZLK-UHFFFAOYSA-N
XLogP1.63
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.63
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-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate (CID 79581623) is methyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCOCC(F)(F)F.
What is the InChIKey of methyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
The InChIKey is OXFMZQSEHROZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-17-9(16)10(15)5-2-3-8(10)4-6-18-7-11(12,13)14/h8H,2-7,15H2,1H3.
What are the key properties of methyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79581623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).