methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate

C14H26F3NO3 — CID 82783283

IUPACmethyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate
SMILESCCNC(C)(CCCCOCCCC(F)(F)F)C(=O)OC
InChIInChI=1S/C14H26F3NO3/c1-4-18-13(2,12(19)20-3)8-5-6-10-21-11-7-9-14(15,16)17/h18H,4-11H2,1-3H3
InChIKeyHYOYAIMLDWZYBT-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.06
Rot. Bonds11

About methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate

methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate (PubChem CID 82783283) has the molecular formula C14H26F3NO3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate
PubChem CID82783283
Molecular FormulaC14H26F3NO3
Molecular Weight313.36 g/mol
Exact Mass313.19
IUPAC Namemethyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate
SMILESCCNC(C)(CCCCOCCCC(F)(F)F)C(=O)OC
InChIInChI=1S/C14H26F3NO3/c1-4-18-13(2,12(19)20-3)8-5-6-10-21-11-7-9-14(15,16)17/h18H,4-11H2,1-3H3
InChIKeyHYOYAIMLDWZYBT-UHFFFAOYSA-N
XLogP3.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.06
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)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847
methyl 2-methyl-2-(propylamino)-5-(3,3,3-trifluoropropoxy)pentanoate
CID 82957801
2-methyl-2-(propylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783635
methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66275923
methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666755
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
2-(ethylamino)-6-[2-(2-methoxyethoxy)ethoxy]-2-methylhexanamide
CID 104565452
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783636
2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
CID 103179851
6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
CID 106204275
2-methyl-2-(methylamino)-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82793311
2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid
CID 106448940

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate (CID 82783283) is methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate is CCNC(C)(CCCCOCCCC(F)(F)F)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate?
The InChIKey is HYOYAIMLDWZYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO3/c1-4-18-13(2,12(19)20-3)8-5-6-10-21-11-7-9-14(15,16)17/h18H,4-11H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate?
methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate has a molecular weight of 313.36 g/mol, XLogP of 3.06, 11 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-6-(4,4,4-trifluorobutoxy)hexanoate is sourced from PubChem (CID 82783283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).