2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane

C12H15F9O3 — CID 88562008

IUPAC2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane
SMILESCCC(C)OC(COC)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H15F9O3/c1-4-6(2)23-7(5-22-3)8(13)9(14,15)10(16,17)11(18,19)12(20,21)24-8/h6-7H,4-5H2,1-3H3
InChIKeyNIXGKQGVAAQGPV-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.01
Rot. Bonds6

About 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane

2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane (PubChem CID 88562008) has the molecular formula C12H15F9O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane.

Molecular Properties

Compound Name2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane
PubChem CID88562008
Molecular FormulaC12H15F9O3
Molecular Weight378.23 g/mol
Exact Mass378.09
IUPAC Name2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane
SMILESCCC(C)OC(COC)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H15F9O3/c1-4-6(2)23-7(5-22-3)8(13)9(14,15)10(16,17)11(18,19)12(20,21)24-8/h6-7H,4-5H2,1-3H3
InChIKeyNIXGKQGVAAQGPV-UHFFFAOYSA-N
XLogP4.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane?
The IUPAC name of 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane (CID 88562008) is 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane.
What is the SMILES notation for 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane?
The canonical SMILES for 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane is CCC(C)OC(COC)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane?
The InChIKey is NIXGKQGVAAQGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F9O3/c1-4-6(2)23-7(5-22-3)8(13)9(14,15)10(16,17)11(18,19)12(20,21)24-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane?
2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane has a molecular weight of 378.23 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane is sourced from PubChem (CID 88562008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).