3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane

C10H11F11O — CID 19761953

IUPAC3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane
SMILESCCC(C)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(OC)C(F)(F)F
InChIInChI=1S/C10H11F11O/c1-4-5(2,7(13,14)9(16,17)18)6(11,12)8(15,22-3)10(19,20)21/h4H2,1-3H3
InChIKeyYRXJMRZMBUVYHK-UHFFFAOYSA-N
MW356.18 g/mol
LogP5.11
Rot. Bonds5

About 3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane

3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane (PubChem CID 19761953) has the molecular formula C10H11F11O and a molecular weight of 356.18 g/mol. Its IUPAC name is 3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane.

Molecular Properties

Compound Name3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane
PubChem CID19761953
Molecular FormulaC10H11F11O
Molecular Weight356.18 g/mol
Exact Mass356.06
IUPAC Name3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane
SMILESCCC(C)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(OC)C(F)(F)F
InChIInChI=1S/C10H11F11O/c1-4-5(2,7(13,14)9(16,17)18)6(11,12)8(15,22-3)10(19,20)21/h4H2,1-3H3
InChIKeyYRXJMRZMBUVYHK-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.18
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane?
The IUPAC name of 3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane (CID 19761953) is 3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane.
What is the SMILES notation for 3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane?
The canonical SMILES for 3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane is CCC(C)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(OC)C(F)(F)F.
What is the InChIKey of 3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane?
The InChIKey is YRXJMRZMBUVYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F11O/c1-4-5(2,7(13,14)9(16,17)18)6(11,12)8(15,22-3)10(19,20)21/h4H2,1-3H3.
What are the key properties of 3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane?
3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane has a molecular weight of 356.18 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane is sourced from PubChem (CID 19761953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).