2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid

C10H15F3O3 — CID 81008690

IUPAC2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1CCCOCC(F)(F)F
InChIInChI=1S/C10H15F3O3/c11-10(12,13)6-16-5-1-2-7-3-4-8(7)9(14)15/h7-8H,1-6H2,(H,14,15)
InChIKeyKRZYSYXWVYDZKM-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.46
Rot. Bonds6

About 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid

2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid (PubChem CID 81008690) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid
PubChem CID81008690
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1CCCOCC(F)(F)F
InChIInChI=1S/C10H15F3O3/c11-10(12,13)6-16-5-1-2-7-3-4-8(7)9(14)15/h7-8H,1-6H2,(H,14,15)
InChIKeyKRZYSYXWVYDZKM-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.46
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-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid (CID 81008690) is 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1CCCOCC(F)(F)F.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid?
The InChIKey is KRZYSYXWVYDZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O3/c11-10(12,13)6-16-5-1-2-7-3-4-8(7)9(14)15/h7-8H,1-6H2,(H,14,15).
What are the key properties of 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid?
2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81008690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).