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

C13H22F3NO3 — CID 79581622

IUPACmethyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C13H22F3NO3/c1-3-17-12(11(18)19-2)7-4-5-10(12)6-8-20-9-13(14,15)16/h10,17H,3-9H2,1-2H3
InChIKeyZXVLAGNBBCWXOE-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.28
Rot. Bonds7

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

methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate (PubChem CID 79581622) has the molecular formula C13H22F3NO3 and a molecular weight of 297.32 g/mol. Its IUPAC name is methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
PubChem CID79581622
Molecular FormulaC13H22F3NO3
Molecular Weight297.32 g/mol
Exact Mass297.16
IUPAC Namemethyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C13H22F3NO3/c1-3-17-12(11(18)19-2)7-4-5-10(12)6-8-20-9-13(14,15)16/h10,17H,3-9H2,1-2H3
InChIKeyZXVLAGNBBCWXOE-UHFFFAOYSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.28
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 methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate (CID 79581622) is methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCCC1CCOCC(F)(F)F.
What is the InChIKey of methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
The InChIKey is ZXVLAGNBBCWXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3/c1-3-17-12(11(18)19-2)7-4-5-10(12)6-8-20-9-13(14,15)16/h10,17H,3-9H2,1-2H3.
What are the key properties of methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate?
methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate has a molecular weight of 297.32 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79581622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).