2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane

C11H9F15O — CID 150873626

IUPAC2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane
SMILESCCCCOC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F15O/c1-2-3-4-27-8(17,11(24,25)26)7(15,16)6(13,14)5(12,9(18,19)20)10(21,22)23/h2-4H2,1H3
InChIKeyKUOAFGYIQVTSEW-UHFFFAOYSA-N
MW442.16 g/mol
LogP6.13
Rot. Bonds7

About 2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane

2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane (PubChem CID 150873626) has the molecular formula C11H9F15O and a molecular weight of 442.16 g/mol. Its IUPAC name is 2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane.

Molecular Properties

Compound Name2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane
PubChem CID150873626
Molecular FormulaC11H9F15O
Molecular Weight442.16 g/mol
Exact Mass442.04
IUPAC Name2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane
SMILESCCCCOC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F15O/c1-2-3-4-27-8(17,11(24,25)26)7(15,16)6(13,14)5(12,9(18,19)20)10(21,22)23/h2-4H2,1H3
InChIKeyKUOAFGYIQVTSEW-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.16
LogP ≤ 56.13
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'}

Analyze 2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane with MolForge

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Related Compounds

2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 151204416
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-propoxy-2-(trifluoromethyl)octane
CID 135287934
3-butoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane
CID 123414825
butyl-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]arsane
CID 173244624
1-butoxy-4-(trifluoromethoxy)butane
CID 152923004
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)octane
CID 71328605
1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane
CID 22916515
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 22450708
2-(3-bromopropoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 59689354
2-bromo-2-butoxy-1,1,2-trifluoroethanol
CID 173107066
1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane
CID 154132639

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane?
The IUPAC name of 2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane (CID 150873626) is 2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane.
What is the SMILES notation for 2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane?
The canonical SMILES for 2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane is CCCCOC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane?
The InChIKey is KUOAFGYIQVTSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F15O/c1-2-3-4-27-8(17,11(24,25)26)7(15,16)6(13,14)5(12,9(18,19)20)10(21,22)23/h2-4H2,1H3.
What are the key properties of 2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane?
2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane has a molecular weight of 442.16 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane is sourced from PubChem (CID 150873626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).