1,1,6,6,6-pentafluorohexan-1-ol

C6H9F5O — CID 143019426

IUPAC1,1,6,6,6-pentafluorohexan-1-ol
SMILESOC(F)(F)CCCCC(F)(F)F
InChIInChI=1S/C6H9F5O/c7-5(8,9)3-1-2-4-6(10,11)12/h12H,1-4H2
InChIKeyWKUPERNHQGLLBX-UHFFFAOYSA-N
MW192.13 g/mol
LogP2.69
Rot. Bonds4

About 1,1,6,6,6-pentafluorohexan-1-ol

1,1,6,6,6-pentafluorohexan-1-ol (PubChem CID 143019426) has the molecular formula C6H9F5O and a molecular weight of 192.13 g/mol. Its IUPAC name is 1,1,6,6,6-pentafluorohexan-1-ol.

Molecular Properties

Compound Name1,1,6,6,6-pentafluorohexan-1-ol
PubChem CID143019426
Molecular FormulaC6H9F5O
Molecular Weight192.13 g/mol
Exact Mass192.06
IUPAC Name1,1,6,6,6-pentafluorohexan-1-ol
SMILESOC(F)(F)CCCCC(F)(F)F
InChIInChI=1S/C6H9F5O/c7-5(8,9)3-1-2-4-6(10,11)12/h12H,1-4H2
InChIKeyWKUPERNHQGLLBX-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,6,6,6-pentafluorohexan-1-ol?
The IUPAC name of 1,1,6,6,6-pentafluorohexan-1-ol (CID 143019426) is 1,1,6,6,6-pentafluorohexan-1-ol.
What is the SMILES notation for 1,1,6,6,6-pentafluorohexan-1-ol?
The canonical SMILES for 1,1,6,6,6-pentafluorohexan-1-ol is OC(F)(F)CCCCC(F)(F)F.
What is the InChIKey of 1,1,6,6,6-pentafluorohexan-1-ol?
The InChIKey is WKUPERNHQGLLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O/c7-5(8,9)3-1-2-4-6(10,11)12/h12H,1-4H2.
What are the key properties of 1,1,6,6,6-pentafluorohexan-1-ol?
1,1,6,6,6-pentafluorohexan-1-ol has a molecular weight of 192.13 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,6,6,6-pentafluorohexan-1-ol is sourced from PubChem (CID 143019426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).