ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate

C11H18F3NO3 — CID 79648525

IUPACethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-3-17-9(16)10(15-2)5-4-8(6-10)18-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyZIQQOUSAUCPNIW-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.64
Rot. Bonds5

About ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate

ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate (PubChem CID 79648525) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
PubChem CID79648525
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Nameethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-3-17-9(16)10(15-2)5-4-8(6-10)18-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyZIQQOUSAUCPNIW-UHFFFAOYSA-N
XLogP1.64
TPSA47.56 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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 79644712
CID 79644712
CID 79644713
CID 79644713
CID 79644714
CID 79644714
CID 79648372
CID 79648372
CID 79648598
CID 79648598
CID 79648674
CID 79648674
CID 79648675
CID 79648675
CID 79648751
CID 79648751
CID 79648752
CID 79648752
CID 79648831
CID 79648831
CID 79648908
CID 79648908
CID 79648986
CID 79648986

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate (CID 79648525) is ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCC(OCC(F)(F)F)C1.
What is the InChIKey of ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate?
The InChIKey is ZIQQOUSAUCPNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-3-17-9(16)10(15-2)5-4-8(6-10)18-7-11(12,13)14/h8,15H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate?
ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79648525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).