1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane

C11H11F13O — CID 19761962

IUPAC1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane
SMILESCC(C)CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F13O/c1-5(2)3-4-25-6(9(16,17)18,10(19,20)21)7(12,13)8(14,15)11(22,23)24/h5H,3-4H2,1-2H3
InChIKeyTUGUFMZLYPXKMT-UHFFFAOYSA-N
MW406.18 g/mol
LogP5.75
Rot. Bonds6

About 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane

1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane (PubChem CID 19761962) has the molecular formula C11H11F13O and a molecular weight of 406.18 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane
PubChem CID19761962
Molecular FormulaC11H11F13O
Molecular Weight406.18 g/mol
Exact Mass406.06
IUPAC Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane
SMILESCC(C)CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F13O/c1-5(2)3-4-25-6(9(16,17)18,10(19,20)21)7(12,13)8(14,15)11(22,23)24/h5H,3-4H2,1-2H3
InChIKeyTUGUFMZLYPXKMT-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.18
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane with MolForge

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Related Compounds

3-Ethoxyperfluoro(2-methylhexane)
CID 2782436
1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
Hexafluorisopropylmethylather
CID 129635123
1-Fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
CID 10584237
2-Fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
2-Butoxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
CID 12713814
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-propan-2-yloxypentane
CID 19761914
2-Butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane
CID 19761916
1,1,1,2,3,4,5,5,5-Nonafluoro-2,4-dimethyl-3-propan-2-yloxypentane
CID 19761918
2-Ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
CID 19761925
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-(2-methylpropoxy)pentane
CID 19761932

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane (CID 19761962) is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane is CC(C)CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane?
The InChIKey is TUGUFMZLYPXKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F13O/c1-5(2)3-4-25-6(9(16,17)18,10(19,20)21)7(12,13)8(14,15)11(22,23)24/h5H,3-4H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane?
1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane has a molecular weight of 406.18 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane is sourced from PubChem (CID 19761962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).