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

C5H7F5S — CID 122409751

IUPAC1,2,3,4,5-pentafluoropentane-1-thiol
SMILESFCC(F)C(F)C(F)C(F)S
InChIInChI=1S/C5H7F5S/c6-1-2(7)3(8)4(9)5(10)11/h2-5,11H,1H2
InChIKeyBJRYHBVVZKCJIU-UHFFFAOYSA-N
MW194.17 g/mol
LogP2.20
Rot. Bonds4

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

1,2,3,4,5-pentafluoropentane-1-thiol (PubChem CID 122409751) has the molecular formula C5H7F5S and a molecular weight of 194.17 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoropentane-1-thiol.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoropentane-1-thiol
PubChem CID122409751
Molecular FormulaC5H7F5S
Molecular Weight194.17 g/mol
Exact Mass194.02
IUPAC Name1,2,3,4,5-pentafluoropentane-1-thiol
SMILESFCC(F)C(F)C(F)C(F)S
InChIInChI=1S/C5H7F5S/c6-1-2(7)3(8)4(9)5(10)11/h2-5,11H,1H2
InChIKeyBJRYHBVVZKCJIU-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 52.20
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
3,3,4,4,4-Pentafluorobutane-1-thiol
CID 109606
4,4,5,5,5-Pentafluoropentane-1-thiol
CID 11138000
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
2,3,4,5,6-Pentafluorocyclohexane-1-thiol
CID 5246782
2,2,3,3,4,4,5,5,5-Nonafluoropentane-1-thiol
CID 14492232
4,4,5,5,6,6,6-Heptafluorohexane-1-thiol
CID 20130124
5,5,5-Trifluoropentylmercaptan
CID 56604698
3,3,4,4,4-Pentafluorobutane-2-thiol
CID 57032580
2,2,3,3,4,4,5,5-Octafluoropentane-1-thiol
CID 57187058
2,2,3,4,4,4-Hexafluorobutan-1-thiol
CID 57302437
Sodium 4,4,5,5,5-pentafluoropentane-1-thiolate
CID 59109811

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoropentane-1-thiol?
The IUPAC name of 1,2,3,4,5-pentafluoropentane-1-thiol (CID 122409751) is 1,2,3,4,5-pentafluoropentane-1-thiol.
What is the SMILES notation for 1,2,3,4,5-pentafluoropentane-1-thiol?
The canonical SMILES for 1,2,3,4,5-pentafluoropentane-1-thiol is FCC(F)C(F)C(F)C(F)S.
What is the InChIKey of 1,2,3,4,5-pentafluoropentane-1-thiol?
The InChIKey is BJRYHBVVZKCJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5S/c6-1-2(7)3(8)4(9)5(10)11/h2-5,11H,1H2.
What are the key properties of 1,2,3,4,5-pentafluoropentane-1-thiol?
1,2,3,4,5-pentafluoropentane-1-thiol has a molecular weight of 194.17 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoropentane-1-thiol is sourced from PubChem (CID 122409751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).