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

C5H7F5S — CID 161295083

IUPAC1,1,5,5,5-pentafluoropentane-1-thiol
SMILESFC(F)(F)CCCC(F)(F)S
InChIInChI=1S/C5H7F5S/c6-4(7,8)2-1-3-5(9,10)11/h11H,1-3H2
InChIKeyVGWGHKNDKRGXLA-UHFFFAOYSA-N
MW194.17 g/mol
LogP3.24
Rot. Bonds3

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

1,1,5,5,5-pentafluoropentane-1-thiol (PubChem CID 161295083) has the molecular formula C5H7F5S and a molecular weight of 194.17 g/mol. Its IUPAC name is 1,1,5,5,5-pentafluoropentane-1-thiol.

Molecular Properties

Compound Name1,1,5,5,5-pentafluoropentane-1-thiol
PubChem CID161295083
Molecular FormulaC5H7F5S
Molecular Weight194.17 g/mol
Exact Mass194.02
IUPAC Name1,1,5,5,5-pentafluoropentane-1-thiol
SMILESFC(F)(F)CCCC(F)(F)S
InChIInChI=1S/C5H7F5S/c6-4(7,8)2-1-3-5(9,10)11/h11H,1-3H2
InChIKeyVGWGHKNDKRGXLA-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Perfluorobutyl)ethanethiol
CID 109607
4,4,5,5,5-Pentafluoropentane-1-thiol
CID 11138000
Nonafluoro-1-hexanethiol
CID 140806510
Octafluoropentanethiol
CID 129814399
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane-1-thiol
CID 17888036
4,4,5,5,6,6,6-Heptafluorohexane-1-thiol
CID 20130124
1,1,2,2,3,3-Hexafluorobutane-1-thiol
CID 21652720
1,1,2,2,3-Pentafluoropentane-1-thiol
CID 55274920
2,2,3,3,4,4,5,5-Octafluoropentane-1-thiol
CID 57187058
4,4,5,5,5-Pentafluoropentane-2-thiol
CID 87288774
1,3,3,4,4,5,5,6,6,6-Decafluorohexane-1-thiol
CID 87746884
1,1,3,3,4,4,5,5,6,6,6-Undecafluorohexane-1-thiol
CID 87800891

Frequently Asked Questions

What is the IUPAC name of 1,1,5,5,5-pentafluoropentane-1-thiol?
The IUPAC name of 1,1,5,5,5-pentafluoropentane-1-thiol (CID 161295083) is 1,1,5,5,5-pentafluoropentane-1-thiol.
What is the SMILES notation for 1,1,5,5,5-pentafluoropentane-1-thiol?
The canonical SMILES for 1,1,5,5,5-pentafluoropentane-1-thiol is FC(F)(F)CCCC(F)(F)S.
What is the InChIKey of 1,1,5,5,5-pentafluoropentane-1-thiol?
The InChIKey is VGWGHKNDKRGXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5S/c6-4(7,8)2-1-3-5(9,10)11/h11H,1-3H2.
What are the key properties of 1,1,5,5,5-pentafluoropentane-1-thiol?
1,1,5,5,5-pentafluoropentane-1-thiol has a molecular weight of 194.17 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5,5-pentafluoropentane-1-thiol is sourced from PubChem (CID 161295083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).