1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane

C11H21F3O — CID 142957389

IUPAC1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane
SMILESCCCOCC(C)(C)C(C)(C)C(F)(F)F
InChIInChI=1S/C11H21F3O/c1-6-7-15-8-9(2,3)10(4,5)11(12,13)14/h6-8H2,1-5H3
InChIKeyNWHPRWXEOMCSRG-UHFFFAOYSA-N
MW226.28 g/mol
LogP4.03
Rot. Bonds5

About 1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane

1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane (PubChem CID 142957389) has the molecular formula C11H21F3O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane
PubChem CID142957389
Molecular FormulaC11H21F3O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane
SMILESCCCOCC(C)(C)C(C)(C)C(F)(F)F
InChIInChI=1S/C11H21F3O/c1-6-7-15-8-9(2,3)10(4,5)11(12,13)14/h6-8H2,1-5H3
InChIKeyNWHPRWXEOMCSRG-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 54.03
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 1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane?
The IUPAC name of 1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane (CID 142957389) is 1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane.
What is the SMILES notation for 1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane?
The canonical SMILES for 1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane is CCCOCC(C)(C)C(C)(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane?
The InChIKey is NWHPRWXEOMCSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O/c1-6-7-15-8-9(2,3)10(4,5)11(12,13)14/h6-8H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane?
1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane has a molecular weight of 226.28 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane is sourced from PubChem (CID 142957389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).