2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane

C14F30O — CID 141276713

IUPAC2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14F30O/c15-3(16,5(19,20)7(23,24)13(39,40)41)1(9(27,28)29,10(30,31)32)45-2(11(33,34)35,12(36,37)38)4(17,18)6(21,22)8(25,26)14(42,43)44
InChIKeyXDHTWXZQDYQTAH-UHFFFAOYSA-N
MW754.09 g/mol
LogP9.67
Rot. Bonds8

About 2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane

2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane (PubChem CID 141276713) has the molecular formula C14F30O and a molecular weight of 754.09 g/mol. Its IUPAC name is 2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane.

Molecular Properties

Compound Name2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane
PubChem CID141276713
Molecular FormulaC14F30O
Molecular Weight754.09 g/mol
Exact Mass753.95
IUPAC Name2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14F30O/c15-3(16,5(19,20)7(23,24)13(39,40)41)1(9(27,28)29,10(30,31)32)45-2(11(33,34)35,12(36,37)38)4(17,18)6(21,22)8(25,26)14(42,43)44
InChIKeyXDHTWXZQDYQTAH-UHFFFAOYSA-N
XLogP9.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.09
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane?
The IUPAC name of 2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane (CID 141276713) is 2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane.
What is the SMILES notation for 2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane?
The canonical SMILES for 2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane?
The InChIKey is XDHTWXZQDYQTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F30O/c15-3(16,5(19,20)7(23,24)13(39,40)41)1(9(27,28)29,10(30,31)32)45-2(11(33,34)35,12(36,37)38)4(17,18)6(21,22)8(25,26)14(42,43)44.
What are the key properties of 2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane?
2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane has a molecular weight of 754.09 g/mol, XLogP of 9.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane is sourced from PubChem (CID 141276713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).