3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane

C8H15F3O — CID 58279929

IUPAC3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane
SMILESCC(C)(C)CCOCC(F)(F)F
InChIInChI=1S/C8H15F3O/c1-7(2,3)4-5-12-6-8(9,10)11/h4-6H2,1-3H3
InChIKeyPIBGGMXLEPYFRG-UHFFFAOYSA-N
MW184.20 g/mol
LogP3.00
Rot. Bonds3

About 3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane

3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane (PubChem CID 58279929) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane
PubChem CID58279929
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane
SMILESCC(C)(C)CCOCC(F)(F)F
InChIInChI=1S/C8H15F3O/c1-7(2,3)4-5-12-6-8(9,10)11/h4-6H2,1-3H3
InChIKeyPIBGGMXLEPYFRG-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 53.00
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 3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane?
The IUPAC name of 3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane (CID 58279929) is 3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for 3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane is CC(C)(C)CCOCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane?
The InChIKey is PIBGGMXLEPYFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-7(2,3)4-5-12-6-8(9,10)11/h4-6H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane?
3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane has a molecular weight of 184.20 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 58279929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).