2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol

C11H18F6O3 — CID 89027942

IUPAC2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol
SMILESCC(C)(C)OC(F)(F)C(F)(F)C(C)(C)OC(F)(F)CO
InChIInChI=1S/C11H18F6O3/c1-7(2,3)19-11(16,17)10(14,15)8(4,5)20-9(12,13)6-18/h18H,6H2,1-5H3
InChIKeyFAVUXGNVSOHGHA-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.41
Rot. Bonds6

About 2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol

2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol (PubChem CID 89027942) has the molecular formula C11H18F6O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol.

Molecular Properties

Compound Name2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol
PubChem CID89027942
Molecular FormulaC11H18F6O3
Molecular Weight312.25 g/mol
Exact Mass312.12
IUPAC Name2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol
SMILESCC(C)(C)OC(F)(F)C(F)(F)C(C)(C)OC(F)(F)CO
InChIInChI=1S/C11H18F6O3/c1-7(2,3)19-11(16,17)10(14,15)8(4,5)20-9(12,13)6-18/h18H,6H2,1-5H3
InChIKeyFAVUXGNVSOHGHA-UHFFFAOYSA-N
XLogP3.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol?
The IUPAC name of 2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol (CID 89027942) is 2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol.
What is the SMILES notation for 2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol?
The canonical SMILES for 2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol is CC(C)(C)OC(F)(F)C(F)(F)C(C)(C)OC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol?
The InChIKey is FAVUXGNVSOHGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6O3/c1-7(2,3)19-11(16,17)10(14,15)8(4,5)20-9(12,13)6-18/h18H,6H2,1-5H3.
What are the key properties of 2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol?
2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol has a molecular weight of 312.25 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol is sourced from PubChem (CID 89027942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).