1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane

C11H13F11O — CID 19761923

IUPAC1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane
SMILESCOC(F)(C(F)(F)F)C(F)(C(C)C)C(C)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F11O/c1-5(2)7(13,9(16,23-4)11(20,21)22)6(3,12)8(14,15)10(17,18)19/h5H,1-4H3
InChIKeyLQOYJBITPBUKRP-UHFFFAOYSA-N
MW370.20 g/mol
LogP5.15
Rot. Bonds5

About 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane

1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane (PubChem CID 19761923) has the molecular formula C11H13F11O and a molecular weight of 370.20 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane
PubChem CID19761923
Molecular FormulaC11H13F11O
Molecular Weight370.20 g/mol
Exact Mass370.08
IUPAC Name1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane
SMILESCOC(F)(C(F)(F)F)C(F)(C(C)C)C(C)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F11O/c1-5(2)7(13,9(16,23-4)11(20,21)22)6(3,12)8(14,15)10(17,18)19/h5H,1-4H3
InChIKeyLQOYJBITPBUKRP-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.20
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane 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 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane?
The IUPAC name of 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane (CID 19761923) is 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane.
What is the SMILES notation for 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane?
The canonical SMILES for 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane is COC(F)(C(F)(F)F)C(F)(C(C)C)C(C)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane?
The InChIKey is LQOYJBITPBUKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F11O/c1-5(2)7(13,9(16,23-4)11(20,21)22)6(3,12)8(14,15)10(17,18)19/h5H,1-4H3.
What are the key properties of 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane?
1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane has a molecular weight of 370.20 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane is sourced from PubChem (CID 19761923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).