2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid

C11H19F3O3 — CID 55106871

IUPAC2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
SMILESCCCC(C)(CCCOCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H19F3O3/c1-3-5-10(2,9(15)16)6-4-7-17-8-11(12,13)14/h3-8H2,1-2H3,(H,15,16)
InChIKeyASQMHXBJAOCCFN-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.24
Rot. Bonds8

About 2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid

2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid (PubChem CID 55106871) has the molecular formula C11H19F3O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
PubChem CID55106871
Molecular FormulaC11H19F3O3
Molecular Weight256.26 g/mol
Exact Mass256.13
IUPAC Name2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
SMILESCCCC(C)(CCCOCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H19F3O3/c1-3-5-10(2,9(15)16)6-4-7-17-8-11(12,13)14/h3-8H2,1-2H3,(H,15,16)
InChIKeyASQMHXBJAOCCFN-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propanoic acid
CID 82788319
2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106487383
methyl 2-(aminomethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoate
CID 106487872
2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106806903
2-butyl-2-methylhexanoic acid
CID 15930803
6-hydroxy-2-methyl-2-propylhexanoic acid
CID 79426423
1-(2,2,2-trifluoroethoxy)heptan-4-one
CID 61490504
2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid
CID 71623084
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
2-methyl-2-(2,2,2-trifluoroethyl)hexanoic acid
CID 143517262
4,4-bis(bromomethyl)-1-(2,2,2-trifluoroethoxy)heptane
CID 79455454
2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82792259

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The IUPAC name of 2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid (CID 55106871) is 2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid.
What is the SMILES notation for 2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The canonical SMILES for 2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid is CCCC(C)(CCCOCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The InChIKey is ASQMHXBJAOCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O3/c1-3-5-10(2,9(15)16)6-4-7-17-8-11(12,13)14/h3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid?
2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid has a molecular weight of 256.26 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid is sourced from PubChem (CID 55106871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).