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

C10H16F3NO2 — CID 60997421

IUPACethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCCC1
InChIInChI=1S/C10H16F3NO2/c1-2-16-8(15)9(5-3-4-6-9)14-7-10(11,12)13/h14H,2-7H2,1H3
InChIKeyJJPDDVABWJIOCW-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.01
Rot. Bonds4

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

ethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate (PubChem CID 60997421) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is ethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate
PubChem CID60997421
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Nameethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCCC1
InChIInChI=1S/C10H16F3NO2/c1-2-16-8(15)9(5-3-4-6-9)14-7-10(11,12)13/h14H,2-7H2,1H3
InChIKeyJJPDDVABWJIOCW-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-(methylamino)cyclopentane-1-carboxylate
CID 58765287
methyl 1-[(N-methylglycyl)amino]cyclopentanecarboxylate trifluoroacetate
CID 71779096
Methyl 1-[(4,4,4-trifluoro-2-oxobutyl)amino]cyclopentane-1-carboxylate
CID 17979755
Methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate
CID 22574619
Methyl 1-(3,3-difluorobutanoylamino)cyclopentane-1-carboxylate
CID 22574797
2-(2,2,2-Trifluoroethylamino)ethyl cyclopentanecarboxylate
CID 67966969
Ethyl 2-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxylate
CID 69913285
2,2,2-Trifluoroethyl 2,4,5-trimethyl-2-(methylamino)hexanoate
CID 123366762
trans-methyl (1R,2S)-2-(2,2-difluoroethyl)-1-(methylamino)cyclopropane-1-carboxylate
CID 167195733
Ethyl 2-(difluoromethyl)pyrrolidine-2-carboxylate
CID 12171072
Ethyl 2-Trifluoromethyl-pyrrolidine-2-carboxylate
CID 50998646
Ethyl 2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexanoate
CID 54892477

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate (CID 60997421) is ethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate is CCOC(=O)C1(NCC(F)(F)F)CCCC1.
What is the InChIKey of ethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate?
The InChIKey is JJPDDVABWJIOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-16-8(15)9(5-3-4-6-9)14-7-10(11,12)13/h14H,2-7H2,1H3.
What are the key properties of ethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate?
ethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate has a molecular weight of 239.24 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 60997421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).