2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid

C11H17F6NO3 — CID 106807178

IUPAC2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid
SMILESCCC(CCCOC(C(F)(F)F)C(F)(F)F)(NC)C(=O)O
InChIInChI=1S/C11H17F6NO3/c1-3-9(18-2,8(19)20)5-4-6-21-7(10(12,13)14)11(15,16)17/h7,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyOPZPCWGTMADEPN-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.73
Rot. Bonds8

About 2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid

2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid (PubChem CID 106807178) has the molecular formula C11H17F6NO3 and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid
PubChem CID106807178
Molecular FormulaC11H17F6NO3
Molecular Weight325.25 g/mol
Exact Mass325.11
IUPAC Name2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid
SMILESCCC(CCCOC(C(F)(F)F)C(F)(F)F)(NC)C(=O)O
InChIInChI=1S/C11H17F6NO3/c1-3-9(18-2,8(19)20)5-4-6-21-7(10(12,13)14)11(15,16)17/h7,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyOPZPCWGTMADEPN-UHFFFAOYSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937363
2-(Ethylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937364
2-Methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937567
2-Methyl-2-(propan-2-ylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937568
2-(Cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61937982
Methyl 2-methyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoate
CID 61938185
Ethyl 2-methyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoate
CID 61938186
Methyl 2-methyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66274637
Methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66275923
2-Methyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 66275924
2-Methyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 66275934
2-Methyl-2-(methylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 66275935

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid?
The IUPAC name of 2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid (CID 106807178) is 2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid?
The canonical SMILES for 2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid is CCC(CCCOC(C(F)(F)F)C(F)(F)F)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid?
The InChIKey is OPZPCWGTMADEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO3/c1-3-9(18-2,8(19)20)5-4-6-21-7(10(12,13)14)11(15,16)17/h7,18H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid?
2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid has a molecular weight of 325.25 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106807178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).