5,5,5-trifluoro-1-propylsulfanylpentan-2-ol

C8H15F3OS — CID 65129954

IUPAC5,5,5-trifluoro-1-propylsulfanylpentan-2-ol
SMILESCCCSCC(O)CCC(F)(F)F
InChIInChI=1S/C8H15F3OS/c1-2-5-13-6-7(12)3-4-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyVUHZTDHAUJRFPT-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.83
Rot. Bonds6

About 5,5,5-trifluoro-1-propylsulfanylpentan-2-ol

5,5,5-trifluoro-1-propylsulfanylpentan-2-ol (PubChem CID 65129954) has the molecular formula C8H15F3OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-propylsulfanylpentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-propylsulfanylpentan-2-ol
PubChem CID65129954
Molecular FormulaC8H15F3OS
Molecular Weight216.27 g/mol
Exact Mass216.08
IUPAC Name5,5,5-trifluoro-1-propylsulfanylpentan-2-ol
SMILESCCCSCC(O)CCC(F)(F)F
InChIInChI=1S/C8H15F3OS/c1-2-5-13-6-7(12)3-4-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyVUHZTDHAUJRFPT-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.83
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 5,5,5-trifluoro-1-propylsulfanylpentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-1-propylsulfanylpentan-2-ol (CID 65129954) is 5,5,5-trifluoro-1-propylsulfanylpentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-propylsulfanylpentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-1-propylsulfanylpentan-2-ol is CCCSCC(O)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-propylsulfanylpentan-2-ol?
The InChIKey is VUHZTDHAUJRFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3OS/c1-2-5-13-6-7(12)3-4-8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-propylsulfanylpentan-2-ol?
5,5,5-trifluoro-1-propylsulfanylpentan-2-ol has a molecular weight of 216.27 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-propylsulfanylpentan-2-ol is sourced from PubChem (CID 65129954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).