2,2,3,3,4,4,5,5-octafluoropentane-1-thiol

C5H4F8S — CID 57187058

IUPAC2,2,3,3,4,4,5,5-octafluoropentane-1-thiol
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CS
InChIInChI=1S/C5H4F8S/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2
InChIKeyKEWDEIUTSBZCMX-UHFFFAOYSA-N
MW248.14 g/mol
LogP3.09
Rot. Bonds4

About 2,2,3,3,4,4,5,5-octafluoropentane-1-thiol

2,2,3,3,4,4,5,5-octafluoropentane-1-thiol (PubChem CID 57187058) has the molecular formula C5H4F8S and a molecular weight of 248.14 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoropentane-1-thiol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoropentane-1-thiol
PubChem CID57187058
Molecular FormulaC5H4F8S
Molecular Weight248.14 g/mol
Exact Mass247.99
IUPAC Name2,2,3,3,4,4,5,5-octafluoropentane-1-thiol
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CS
InChIInChI=1S/C5H4F8S/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2
InChIKeyKEWDEIUTSBZCMX-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 53.09
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 2,2,3,3,4,4,5,5-octafluoropentane-1-thiol?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentane-1-thiol (CID 57187058) is 2,2,3,3,4,4,5,5-octafluoropentane-1-thiol.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoropentane-1-thiol?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoropentane-1-thiol is FC(F)C(F)(F)C(F)(F)C(F)(F)CS.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoropentane-1-thiol?
The InChIKey is KEWDEIUTSBZCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8S/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoropentane-1-thiol?
2,2,3,3,4,4,5,5-octafluoropentane-1-thiol has a molecular weight of 248.14 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoropentane-1-thiol is sourced from PubChem (CID 57187058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).