2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane

C9H9F11O — CID 151204416

IUPAC2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
SMILESCCCCOC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F11O/c1-2-3-4-21-7(14,9(18,19)20)5(10,11)6(12,13)8(15,16)17/h2-4H2,1H3
InChIKeyNIZBUQYINQADIS-UHFFFAOYSA-N
MW342.15 g/mol
LogP4.86
Rot. Bonds6

About 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane

2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane (PubChem CID 151204416) has the molecular formula C9H9F11O and a molecular weight of 342.15 g/mol. Its IUPAC name is 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane.

Molecular Properties

Compound Name2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
PubChem CID151204416
Molecular FormulaC9H9F11O
Molecular Weight342.15 g/mol
Exact Mass342.05
IUPAC Name2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
SMILESCCCCOC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F11O/c1-2-3-4-21-7(14,9(18,19)20)5(10,11)6(12,13)8(15,16)17/h2-4H2,1H3
InChIKeyNIZBUQYINQADIS-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane
CID 150873626
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)octane
CID 71328605
3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 122391796
2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol
CID 18995413
1-butoxy-4-(trifluoromethoxy)butane
CID 152923004
1,1,1,2,2,3,3,5,5,5-decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluoro-4-(1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexan-3-yloxy)hexane
CID 13450994
butyl 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluoro-2-methylidenehexadecanoate
CID 175017243
dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane
CID 141324690
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane
CID 87689733
1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane
CID 22916515
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane?
The IUPAC name of 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane (CID 151204416) is 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane.
What is the SMILES notation for 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane?
The canonical SMILES for 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane is CCCCOC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane?
The InChIKey is NIZBUQYINQADIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F11O/c1-2-3-4-21-7(14,9(18,19)20)5(10,11)6(12,13)8(15,16)17/h2-4H2,1H3.
What are the key properties of 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane?
2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane has a molecular weight of 342.15 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane is sourced from PubChem (CID 151204416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).