methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate

C12H22F3NO3 — CID 66275923

IUPACmethyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
SMILESCCNC(C)(CCCOC(C)C(F)(F)F)C(=O)OC
InChIInChI=1S/C12H22F3NO3/c1-5-16-11(3,10(17)18-4)7-6-8-19-9(2)12(13,14)15/h9,16H,5-8H2,1-4H3
InChIKeyIJIQJIHEUWIDOD-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.28
Rot. Bonds8

About methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate

methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate (PubChem CID 66275923) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
PubChem CID66275923
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC Namemethyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
SMILESCCNC(C)(CCCOC(C)C(F)(F)F)C(=O)OC
InChIInChI=1S/C12H22F3NO3/c1-5-16-11(3,10(17)18-4)7-6-8-19-9(2)12(13,14)15/h9,16H,5-8H2,1-4H3
InChIKeyIJIQJIHEUWIDOD-UHFFFAOYSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
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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Related Compounds

methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate
CID 82783283
ethyl 2-methyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66274410
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847
2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide
CID 66275068
2-(ethylamino)-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277020
methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66275078
methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
CID 103489912
2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide
CID 66274633
methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate
CID 79481545
2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 106807111
methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706315

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate (CID 66275923) is methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate is CCNC(C)(CCCOC(C)C(F)(F)F)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate?
The InChIKey is IJIQJIHEUWIDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c1-5-16-11(3,10(17)18-4)7-6-8-19-9(2)12(13,14)15/h9,16H,5-8H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate?
methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate has a molecular weight of 285.31 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate is sourced from PubChem (CID 66275923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).