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

C10H17F3O3 — CID 61490947

IUPAC2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
SMILESCCCC(CCCOCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3O3/c1-2-4-8(9(14)15)5-3-6-16-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,15)
InChIKeyZGMGEPQNMQNHEC-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.85
Rot. Bonds8

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

2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid (PubChem CID 61490947) has the molecular formula C10H17F3O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid.

Molecular Properties

Compound Name2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
PubChem CID61490947
Molecular FormulaC10H17F3O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC Name2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
SMILESCCCC(CCCOCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3O3/c1-2-4-8(9(14)15)5-3-6-16-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,15)
InChIKeyZGMGEPQNMQNHEC-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The IUPAC name of 2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid (CID 61490947) is 2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid.
What is the SMILES notation for 2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The canonical SMILES for 2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid is CCCC(CCCOCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid?
The InChIKey is ZGMGEPQNMQNHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O3/c1-2-4-8(9(14)15)5-3-6-16-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid?
2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid has a molecular weight of 242.24 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid is sourced from PubChem (CID 61490947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).