ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate

C11H18F3NO2 — CID 65044622

IUPACethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCCC1C
InChIInChI=1S/C11H18F3NO2/c1-3-17-9(16)10(6-4-5-8(10)2)15-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyPVVAKCLESMUSQA-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.26
Rot. Bonds4

About ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate

ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate (PubChem CID 65044622) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate
PubChem CID65044622
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCCC1C
InChIInChI=1S/C11H18F3NO2/c1-3-17-9(16)10(6-4-5-8(10)2)15-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyPVVAKCLESMUSQA-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate (CID 65044622) is ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate is CCOC(=O)C1(NCC(F)(F)F)CCCC1C.
What is the InChIKey of ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate?
The InChIKey is PVVAKCLESMUSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-3-17-9(16)10(6-4-5-8(10)2)15-7-11(12,13)14/h8,15H,3-7H2,1-2H3.
What are the key properties of ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate?
ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 65044622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).