3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol

C7H5F11O — CID 2776218

IUPAC3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol
SMILESOCCC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c8-3(9,1-2-19)5(11,12)4(10,6(13,14)15)7(16,17)18/h19H,1-2H2
InChIKeyCEUQRWZHUUPZGD-UHFFFAOYSA-N
MW314.09 g/mol
LogP3.47
Rot. Bonds4

About 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol

3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol (PubChem CID 2776218) has the molecular formula C7H5F11O and a molecular weight of 314.09 g/mol. Its IUPAC name is 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound Name3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol
PubChem CID2776218
Molecular FormulaC7H5F11O
Molecular Weight314.09 g/mol
Exact Mass314.02
IUPAC Name3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol
SMILESOCCC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c8-3(9,1-2-19)5(11,12)4(10,6(13,14)15)7(16,17)18/h19H,1-2H2
InChIKeyCEUQRWZHUUPZGD-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol?
The IUPAC name of 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol (CID 2776218) is 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol?
The canonical SMILES for 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol is OCCC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol?
The InChIKey is CEUQRWZHUUPZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11O/c8-3(9,1-2-19)5(11,12)4(10,6(13,14)15)7(16,17)18/h19H,1-2H2.
What are the key properties of 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol?
3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol has a molecular weight of 314.09 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 2776218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).