2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid

C11H20F3NO3 — CID 82958128

IUPAC2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
SMILESCCNC(C)(CC(C)OCCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H20F3NO3/c1-4-15-10(3,9(16)17)7-8(2)18-6-5-11(12,13)14/h8,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyYJJCDKKHWMXDTI-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.19
Rot. Bonds8

About 2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid

2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid (PubChem CID 82958128) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
PubChem CID82958128
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
SMILESCCNC(C)(CC(C)OCCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H20F3NO3/c1-4-15-10(3,9(16)17)7-8(2)18-6-5-11(12,13)14/h8,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyYJJCDKKHWMXDTI-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid (CID 82958128) is 2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid is CCNC(C)(CC(C)OCCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid?
The InChIKey is YJJCDKKHWMXDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-4-15-10(3,9(16)17)7-8(2)18-6-5-11(12,13)14/h8,15H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid?
2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid has a molecular weight of 271.28 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid is sourced from PubChem (CID 82958128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).