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

C12H20F3NO3 — CID 79581859

IUPACethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C12H20F3NO3/c1-2-19-10(17)11(16)6-3-4-9(11)5-7-18-8-12(13,14)15/h9H,2-8,16H2,1H3
InChIKeyIIJIVNFLODDZCS-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.02
Rot. Bonds6

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

ethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate (PubChem CID 79581859) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
PubChem CID79581859
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Nameethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C12H20F3NO3/c1-2-19-10(17)11(16)6-3-4-9(11)5-7-18-8-12(13,14)15/h9H,2-8,16H2,1H3
InChIKeyIIJIVNFLODDZCS-UHFFFAOYSA-N
XLogP2.02
TPSA61.55 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 ≤ 52.02
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 ethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate (CID 79581859) is ethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCCC1CCOCC(F)(F)F.
What is the InChIKey of ethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
The InChIKey is IIJIVNFLODDZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-2-19-10(17)11(16)6-3-4-9(11)5-7-18-8-12(13,14)15/h9H,2-8,16H2,1H3.
What are the key properties of ethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
ethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79581859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).