2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane

C10H12F10O — CID 19761916

IUPAC2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane
SMILESCCC(C)OC(C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10O/c1-4-5(2)21-6(3,9(15,16)17)7(11,12)8(13,14)10(18,19)20/h5H,4H2,1-3H3
InChIKeyAAJKCOASSWPYIN-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.96
Rot. Bonds5

About 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane

2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane (PubChem CID 19761916) has the molecular formula C10H12F10O and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane.

Molecular Properties

Compound Name2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane
PubChem CID19761916
Molecular FormulaC10H12F10O
Molecular Weight338.19 g/mol
Exact Mass338.07
IUPAC Name2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane
SMILESCCC(C)OC(C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10O/c1-4-5(2)21-6(3,9(15,16)17)7(11,12)8(13,14)10(18,19)20/h5H,4H2,1-3H3
InChIKeyAAJKCOASSWPYIN-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.96
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 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane?
The IUPAC name of 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane (CID 19761916) is 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane.
What is the SMILES notation for 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane?
The canonical SMILES for 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane is CCC(C)OC(C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane?
The InChIKey is AAJKCOASSWPYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10O/c1-4-5(2)21-6(3,9(15,16)17)7(11,12)8(13,14)10(18,19)20/h5H,4H2,1-3H3.
What are the key properties of 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane?
2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane has a molecular weight of 338.19 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane is sourced from PubChem (CID 19761916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).