4,4,5,5,5-pentafluoropentane-1-thiol

C5H7F5S — CID 11138000

IUPAC4,4,5,5,5-pentafluoropentane-1-thiol
SMILESFC(F)(F)C(F)(F)CCCS
InChIInChI=1S/C5H7F5S/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2
InChIKeyOZRFWLLFSGXBOH-UHFFFAOYSA-N
MW194.17 g/mol
LogP2.89
Rot. Bonds3

About 4,4,5,5,5-pentafluoropentane-1-thiol

4,4,5,5,5-pentafluoropentane-1-thiol (PubChem CID 11138000) has the molecular formula C5H7F5S and a molecular weight of 194.17 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoropentane-1-thiol.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoropentane-1-thiol
PubChem CID11138000
Molecular FormulaC5H7F5S
Molecular Weight194.17 g/mol
Exact Mass194.02
IUPAC Name4,4,5,5,5-pentafluoropentane-1-thiol
SMILESFC(F)(F)C(F)(F)CCCS
InChIInChI=1S/C5H7F5S/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2
InChIKeyOZRFWLLFSGXBOH-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoropentane-1-thiol?
The IUPAC name of 4,4,5,5,5-pentafluoropentane-1-thiol (CID 11138000) is 4,4,5,5,5-pentafluoropentane-1-thiol.
What is the SMILES notation for 4,4,5,5,5-pentafluoropentane-1-thiol?
The canonical SMILES for 4,4,5,5,5-pentafluoropentane-1-thiol is FC(F)(F)C(F)(F)CCCS.
What is the InChIKey of 4,4,5,5,5-pentafluoropentane-1-thiol?
The InChIKey is OZRFWLLFSGXBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5S/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2.
What are the key properties of 4,4,5,5,5-pentafluoropentane-1-thiol?
4,4,5,5,5-pentafluoropentane-1-thiol has a molecular weight of 194.17 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoropentane-1-thiol is sourced from PubChem (CID 11138000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).