1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane

C7H6F10O — CID 18798723

IUPAC1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane
SMILESCOC(F)(C(C)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10O/c1-3(8,6(12,13)14)5(11,18-2)4(9,10)7(15,16)17/h1-2H3
InChIKeyPQTXETKBUNLVER-UHFFFAOYSA-N
MW296.10 g/mol
LogP3.79
Rot. Bonds3

About 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane

1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane (PubChem CID 18798723) has the molecular formula C7H6F10O and a molecular weight of 296.10 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane
PubChem CID18798723
Molecular FormulaC7H6F10O
Molecular Weight296.10 g/mol
Exact Mass296.03
IUPAC Name1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane
SMILESCOC(F)(C(C)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10O/c1-3(8,6(12,13)14)5(11,18-2)4(9,10)7(15,16)17/h1-2H3
InChIKeyPQTXETKBUNLVER-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 53.79
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 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane?
The IUPAC name of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane (CID 18798723) is 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane.
What is the SMILES notation for 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane?
The canonical SMILES for 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane is COC(F)(C(C)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane?
The InChIKey is PQTXETKBUNLVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O/c1-3(8,6(12,13)14)5(11,18-2)4(9,10)7(15,16)17/h1-2H3.
What are the key properties of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane?
1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane has a molecular weight of 296.10 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-methylpentane is sourced from PubChem (CID 18798723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).