1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol

C19H23F15O3 — CID 59676489

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol
SMILESCCC(C)(OCCOC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H23F15O3/c1-3-12(2,15(20,21)22)36-8-9-37-14(18(29,30)31,19(32,33)34)11-6-4-10(5-7-11)13(35,16(23,24)25)17(26,27)28/h10-11,35H,3-9H2,1-2H3
InChIKeyYJVWPHXSUHJETM-UHFFFAOYSA-N
MW584.36 g/mol
LogP7.28
Rot. Bonds8

About 1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol (PubChem CID 59676489) has the molecular formula C19H23F15O3 and a molecular weight of 584.36 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol
PubChem CID59676489
Molecular FormulaC19H23F15O3
Molecular Weight584.36 g/mol
Exact Mass584.14
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol
SMILESCCC(C)(OCCOC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H23F15O3/c1-3-12(2,15(20,21)22)36-8-9-37-14(18(29,30)31,19(32,33)34)11-6-4-10(5-7-11)13(35,16(23,24)25)17(26,27)28/h10-11,35H,3-9H2,1-2H3
InChIKeyYJVWPHXSUHJETM-UHFFFAOYSA-N
XLogP7.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.36
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol (CID 59676489) is 1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol is CCC(C)(OCCOC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol?
The InChIKey is YJVWPHXSUHJETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F15O3/c1-3-12(2,15(20,21)22)36-8-9-37-14(18(29,30)31,19(32,33)34)11-6-4-10(5-7-11)13(35,16(23,24)25)17(26,27)28/h10-11,35H,3-9H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol has a molecular weight of 584.36 g/mol, XLogP of 7.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]propan-2-yl]cyclohexyl]propan-2-ol is sourced from PubChem (CID 59676489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).