1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane

C12H20F6O — CID 56978502

IUPAC1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane
SMILESCCCCC(OC(CCCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O/c1-3-5-7-9(11(13,14)15)19-10(8-6-4-2)12(16,17)18/h9-10H,3-8H2,1-2H3
InChIKeyBHZFJWQFWFDYOJ-UHFFFAOYSA-N
MW294.28 g/mol
LogP5.25
Rot. Bonds8

About 1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane

1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane (PubChem CID 56978502) has the molecular formula C12H20F6O and a molecular weight of 294.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane
PubChem CID56978502
Molecular FormulaC12H20F6O
Molecular Weight294.28 g/mol
Exact Mass294.14
IUPAC Name1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane
SMILESCCCCC(OC(CCCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O/c1-3-5-7-9(11(13,14)15)19-10(8-6-4-2)12(16,17)18/h9-10H,3-8H2,1-2H3
InChIKeyBHZFJWQFWFDYOJ-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.28
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane?
The IUPAC name of 1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane (CID 56978502) is 1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane?
The canonical SMILES for 1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane is CCCCC(OC(CCCC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane?
The InChIKey is BHZFJWQFWFDYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6O/c1-3-5-7-9(11(13,14)15)19-10(8-6-4-2)12(16,17)18/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane?
1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane has a molecular weight of 294.28 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1,1,1-trifluorohexan-2-yloxy)hexane is sourced from PubChem (CID 56978502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).