[2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate

C19H32F3NO4 — CID 155456954

IUPAC[2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate
SMILESCCNC(C)(C(=O)OCC(=O)OC(C1CCCCC1)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C19H32F3NO4/c1-6-23-18(5,17(2,3)4)16(25)26-12-14(24)27-15(19(20,21)22)13-10-8-7-9-11-13/h13,15,23H,6-12H2,1-5H3
InChIKeyASBLNDFVBFOYBS-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.00
Rot. Bonds7

About [2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate

[2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate (PubChem CID 155456954) has the molecular formula C19H32F3NO4 and a molecular weight of 395.46 g/mol. Its IUPAC name is [2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate.

Molecular Properties

Compound Name[2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate
PubChem CID155456954
Molecular FormulaC19H32F3NO4
Molecular Weight395.46 g/mol
Exact Mass395.23
IUPAC Name[2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate
SMILESCCNC(C)(C(=O)OCC(=O)OC(C1CCCCC1)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C19H32F3NO4/c1-6-23-18(5,17(2,3)4)16(25)26-12-14(24)27-15(19(20,21)22)13-10-8-7-9-11-13/h13,15,23H,6-12H2,1-5H3
InChIKeyASBLNDFVBFOYBS-UHFFFAOYSA-N
XLogP4.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate?
The IUPAC name of [2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate (CID 155456954) is [2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate.
What is the SMILES notation for [2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate?
The canonical SMILES for [2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate is CCNC(C)(C(=O)OCC(=O)OC(C1CCCCC1)C(F)(F)F)C(C)(C)C.
What is the InChIKey of [2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate?
The InChIKey is ASBLNDFVBFOYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F3NO4/c1-6-23-18(5,17(2,3)4)16(25)26-12-14(24)27-15(19(20,21)22)13-10-8-7-9-11-13/h13,15,23H,6-12H2,1-5H3.
What are the key properties of [2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate?
[2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate has a molecular weight of 395.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2-oxoethyl] 2-(ethylamino)-2,3,3-trimethylbutanoate is sourced from PubChem (CID 155456954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).