1,1,2,2,3-pentafluoropentane-1-thiol

C5H7F5S — CID 55274920

IUPAC1,1,2,2,3-pentafluoropentane-1-thiol
SMILESCCC(F)C(F)(F)C(F)(F)S
InChIInChI=1S/C5H7F5S/c1-2-3(6)4(7,8)5(9,10)11/h3,11H,2H2,1H3
InChIKeyPGXRMXFWANSLOV-UHFFFAOYSA-N
MW194.17 g/mol
LogP2.89
Rot. Bonds3

About 1,1,2,2,3-pentafluoropentane-1-thiol

1,1,2,2,3-pentafluoropentane-1-thiol (PubChem CID 55274920) has the molecular formula C5H7F5S and a molecular weight of 194.17 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoropentane-1-thiol.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoropentane-1-thiol
PubChem CID55274920
Molecular FormulaC5H7F5S
Molecular Weight194.17 g/mol
Exact Mass194.02
IUPAC Name1,1,2,2,3-pentafluoropentane-1-thiol
SMILESCCC(F)C(F)(F)C(F)(F)S
InChIInChI=1S/C5H7F5S/c1-2-3(6)4(7,8)5(9,10)11/h3,11H,2H2,1H3
InChIKeyPGXRMXFWANSLOV-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'}

Analyze 1,1,2,2,3-pentafluoropentane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,5,5,5-Pentafluoropentane-1-thiol
CID 11138000
Tetrafluoropropanethiol
CID 88556177
Nonafluoro-1-hexanethiol
CID 140806510
Octafluoropentanethiol
CID 129814399
1,1,2,2,3,3-Hexafluorobutane-1-thiol
CID 21652720
1,1,1,3,3,3-Hexafluoro-2-methylpropane-2-thiol
CID 23432632
3,3,4,4,4-Pentafluorobutane-2-thiol
CID 57032580
2,2,3,3,4,4,5,5-Octafluoropentane-1-thiol
CID 57187058
4,4,5,5,5-Pentafluoropentane-2-thiol
CID 87288774
3,3,4,4,5,5,6,6,6-Nonafluorohexane-2-thiol
CID 87586545
1,1,2-Trifluorobutane-1-thiol
CID 88181876
1,2,2,3,3-Pentafluorobutane-1-thiol
CID 88556178

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3-pentafluoropentane-1-thiol?
The IUPAC name of 1,1,2,2,3-pentafluoropentane-1-thiol (CID 55274920) is 1,1,2,2,3-pentafluoropentane-1-thiol.
What is the SMILES notation for 1,1,2,2,3-pentafluoropentane-1-thiol?
The canonical SMILES for 1,1,2,2,3-pentafluoropentane-1-thiol is CCC(F)C(F)(F)C(F)(F)S.
What is the InChIKey of 1,1,2,2,3-pentafluoropentane-1-thiol?
The InChIKey is PGXRMXFWANSLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5S/c1-2-3(6)4(7,8)5(9,10)11/h3,11H,2H2,1H3.
What are the key properties of 1,1,2,2,3-pentafluoropentane-1-thiol?
1,1,2,2,3-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 1,1,2,2,3-pentafluoropentane-1-thiol is sourced from PubChem (CID 55274920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).