1-(2,2,2-trifluoroethoxy)butane

C6H11F3O — CID 14024098

IUPAC1-(2,2,2-trifluoroethoxy)butane
SMILESCCCCOCC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-2-3-4-10-5-6(7,8)9/h2-5H2,1H3
InChIKeyOSUASOUSEXWOQS-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.37
Rot. Bonds4

About 1-(2,2,2-trifluoroethoxy)butane

1-(2,2,2-trifluoroethoxy)butane (PubChem CID 14024098) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)butane
PubChem CID14024098
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name1-(2,2,2-trifluoroethoxy)butane
SMILESCCCCOCC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-2-3-4-10-5-6(7,8)9/h2-5H2,1H3
InChIKeyOSUASOUSEXWOQS-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2,2,2-trifluoroethoxy)butane?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)butane (CID 14024098) is 1-(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)butane is CCCCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)butane?
The InChIKey is OSUASOUSEXWOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-2-3-4-10-5-6(7,8)9/h2-5H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)butane?
1-(2,2,2-trifluoroethoxy)butane has a molecular weight of 156.15 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 14024098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).