1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane

C11H15F9O — CID 19761939

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane
SMILESCC(C)COC(F)(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C11H15F9O/c1-6(2)5-21-9(14,7(3,12)10(15,16)17)8(4,13)11(18,19)20/h6H,5H2,1-4H3
InChIKeyCSAXZCISNWOMJN-UHFFFAOYSA-N
MW334.22 g/mol
LogP4.91
Rot. Bonds5

About 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane

1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane (PubChem CID 19761939) has the molecular formula C11H15F9O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane
PubChem CID19761939
Molecular FormulaC11H15F9O
Molecular Weight334.22 g/mol
Exact Mass334.10
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane
SMILESCC(C)COC(F)(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C11H15F9O/c1-6(2)5-21-9(14,7(3,12)10(15,16)17)8(4,13)11(18,19)20/h6H,5H2,1-4H3
InChIKeyCSAXZCISNWOMJN-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane (CID 19761939) is 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane is CC(C)COC(F)(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane?
The InChIKey is CSAXZCISNWOMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F9O/c1-6(2)5-21-9(14,7(3,12)10(15,16)17)8(4,13)11(18,19)20/h6H,5H2,1-4H3.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane?
1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane has a molecular weight of 334.22 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane is sourced from PubChem (CID 19761939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).