1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol

C7H5F11O2 — CID 167070111

IUPAC1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol
SMILESCOC(C(F)(F)F)C(F)(F)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F11O2/c1-20-2(4(10,11)12)3(8,9)5(19,6(13,14)15)7(16,17)18/h2,19H,1H3
InChIKeyZBZYAFGGPFKDOT-UHFFFAOYSA-N
MW330.09 g/mol
LogP3.05
Rot. Bonds3

About 1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol

1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol (PubChem CID 167070111) has the molecular formula C7H5F11O2 and a molecular weight of 330.09 g/mol. Its IUPAC name is 1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol
PubChem CID167070111
Molecular FormulaC7H5F11O2
Molecular Weight330.09 g/mol
Exact Mass330.01
IUPAC Name1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol
SMILESCOC(C(F)(F)F)C(F)(F)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F11O2/c1-20-2(4(10,11)12)3(8,9)5(19,6(13,14)15)7(16,17)18/h2,19H,1H3
InChIKeyZBZYAFGGPFKDOT-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol?
The IUPAC name of 1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol (CID 167070111) is 1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for 1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for 1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol is COC(C(F)(F)F)C(F)(F)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol?
The InChIKey is ZBZYAFGGPFKDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11O2/c1-20-2(4(10,11)12)3(8,9)5(19,6(13,14)15)7(16,17)18/h2,19H,1H3.
What are the key properties of 1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol?
1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol has a molecular weight of 330.09 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 167070111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).