1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane

C15H24F6O2 — CID 58840386

IUPAC1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
SMILESCCC(C)C1CCC(C(OCOC)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H24F6O2/c1-4-10(2)11-5-7-12(8-6-11)13(14(16,17)18,15(19,20)21)23-9-22-3/h10-12H,4-9H2,1-3H3
InChIKeyAJGWLXGXBNGYFK-UHFFFAOYSA-N
MW350.34 g/mol
LogP5.32
Rot. Bonds6

About 1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane

1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane (PubChem CID 58840386) has the molecular formula C15H24F6O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
PubChem CID58840386
Molecular FormulaC15H24F6O2
Molecular Weight350.34 g/mol
Exact Mass350.17
IUPAC Name1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
SMILESCCC(C)C1CCC(C(OCOC)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H24F6O2/c1-4-10(2)11-5-7-12(8-6-11)13(14(16,17)18,15(19,20)21)23-9-22-3/h10-12H,4-9H2,1-3H3
InChIKeyAJGWLXGXBNGYFK-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.34
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane?
The IUPAC name of 1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane (CID 58840386) is 1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane.
What is the SMILES notation for 1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane?
The canonical SMILES for 1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane is CCC(C)C1CCC(C(OCOC)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane?
The InChIKey is AJGWLXGXBNGYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O2/c1-4-10(2)11-5-7-12(8-6-11)13(14(16,17)18,15(19,20)21)23-9-22-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane?
1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane has a molecular weight of 350.34 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane is sourced from PubChem (CID 58840386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).