1,1,2,2,2-pentafluoroethanethiol

C2HF5S — CID 4713114

IUPAC1,1,2,2,2-pentafluoroethanethiol
SMILESFC(F)(F)C(F)(F)S
InChIInChI=1S/C2HF5S/c3-1(4,5)2(6,7)8/h8H
InChIKeyHJAQXTYQEZKSPA-UHFFFAOYSA-N
MW152.09 g/mol
LogP2.07
Rot. Bonds

About 1,1,2,2,2-pentafluoroethanethiol

1,1,2,2,2-pentafluoroethanethiol (PubChem CID 4713114) has the molecular formula C2HF5S and a molecular weight of 152.09 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethanethiol.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethanethiol
PubChem CID4713114
Molecular FormulaC2HF5S
Molecular Weight152.09 g/mol
Exact Mass151.97
IUPAC Name1,1,2,2,2-pentafluoroethanethiol
SMILESFC(F)(F)C(F)(F)S
InChIInChI=1S/C2HF5S/c3-1(4,5)2(6,7)8/h8H
InChIKeyHJAQXTYQEZKSPA-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 52.07
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 1,1,2,2,2-pentafluoroethanethiol?
The IUPAC name of 1,1,2,2,2-pentafluoroethanethiol (CID 4713114) is 1,1,2,2,2-pentafluoroethanethiol.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethanethiol?
The canonical SMILES for 1,1,2,2,2-pentafluoroethanethiol is FC(F)(F)C(F)(F)S.
What is the InChIKey of 1,1,2,2,2-pentafluoroethanethiol?
The InChIKey is HJAQXTYQEZKSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5S/c3-1(4,5)2(6,7)8/h8H.
What are the key properties of 1,1,2,2,2-pentafluoroethanethiol?
1,1,2,2,2-pentafluoroethanethiol has a molecular weight of 152.09 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethanethiol is sourced from PubChem (CID 4713114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).