6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol

C9H17F3O2S — CID 158610002

IUPAC6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol
SMILESO=S(CCCCCCO)CCC(F)(F)F
InChIInChI=1S/C9H17F3O2S/c10-9(11,12)5-8-15(14)7-4-2-1-3-6-13/h13H,1-8H2
InChIKeyHWSDUXPWZAQZCW-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.24
Rot. Bonds8

About 6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol

6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol (PubChem CID 158610002) has the molecular formula C9H17F3O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol.

Molecular Properties

Compound Name6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol
PubChem CID158610002
Molecular FormulaC9H17F3O2S
Molecular Weight246.29 g/mol
Exact Mass246.09
IUPAC Name6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol
SMILESO=S(CCCCCCO)CCC(F)(F)F
InChIInChI=1S/C9H17F3O2S/c10-9(11,12)5-8-15(14)7-4-2-1-3-6-13/h13H,1-8H2
InChIKeyHWSDUXPWZAQZCW-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol?
The IUPAC name of 6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol (CID 158610002) is 6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol.
What is the SMILES notation for 6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol?
The canonical SMILES for 6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol is O=S(CCCCCCO)CCC(F)(F)F.
What is the InChIKey of 6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol?
The InChIKey is HWSDUXPWZAQZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O2S/c10-9(11,12)5-8-15(14)7-4-2-1-3-6-13/h13H,1-8H2.
What are the key properties of 6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol?
6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol has a molecular weight of 246.29 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,3-trifluoropropylsulfinyl)hexan-1-ol is sourced from PubChem (CID 158610002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).