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

C14H25F3N2O2 — CID 79565720

IUPACethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC1CCN(C)CC(F)(F)F
InChIInChI=1S/C14H25F3N2O2/c1-4-21-12(20)13(18-2)8-5-6-11(13)7-9-19(3)10-14(15,16)17/h11,18H,4-10H2,1-3H3
InChIKeyTYEOPFHGIRTLLA-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.19
Rot. Bonds7

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

ethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate (PubChem CID 79565720) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is ethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate
PubChem CID79565720
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Nameethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC1CCN(C)CC(F)(F)F
InChIInChI=1S/C14H25F3N2O2/c1-4-21-12(20)13(18-2)8-5-6-11(13)7-9-19(3)10-14(15,16)17/h11,18H,4-10H2,1-3H3
InChIKeyTYEOPFHGIRTLLA-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate (CID 79565720) is ethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCCC1CCN(C)CC(F)(F)F.
What is the InChIKey of ethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate?
The InChIKey is TYEOPFHGIRTLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-4-21-12(20)13(18-2)8-5-6-11(13)7-9-19(3)10-14(15,16)17/h11,18H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate?
ethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate has a molecular weight of 310.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79565720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).