1,1,2,2,2-pentafluoroethanethiol pentafluoride

C2HF10S-5 — CID 19050249

IUPAC1,1,2,2,2-pentafluoroethanethiol pentafluoride
SMILESFC(F)(F)C(F)(F)S.[F-].[F-].[F-].[F-].[F-]
InChIInChI=1S/C2HF5S.5FH/c3-1(4,5)2(6,7)8;;;;;/h8H;5*1H/p-5
InChIKeyDDWSCDXOPLRWTI-UHFFFAOYSA-I
MW247.08 g/mol
LogP-12.91
Rot. Bonds

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

1,1,2,2,2-pentafluoroethanethiol pentafluoride (PubChem CID 19050249) has the molecular formula C2HF10S-5 and a molecular weight of 247.08 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethanethiol pentafluoride.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethanethiol pentafluoride
PubChem CID19050249
Molecular FormulaC2HF10S-5
Molecular Weight247.08 g/mol
Exact Mass246.97
IUPAC Name1,1,2,2,2-pentafluoroethanethiol pentafluoride
SMILESFC(F)(F)C(F)(F)S.[F-].[F-].[F-].[F-].[F-]
InChIInChI=1S/C2HF5S.5FH/c3-1(4,5)2(6,7)8;;;;;/h8H;5*1H/p-5
InChIKeyDDWSCDXOPLRWTI-UHFFFAOYSA-I
XLogP-12.91
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 5-12.91
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 pentafluoride?
The IUPAC name of 1,1,2,2,2-pentafluoroethanethiol pentafluoride (CID 19050249) is 1,1,2,2,2-pentafluoroethanethiol pentafluoride.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethanethiol pentafluoride?
The canonical SMILES for 1,1,2,2,2-pentafluoroethanethiol pentafluoride is FC(F)(F)C(F)(F)S.[F-].[F-].[F-].[F-].[F-].
What is the InChIKey of 1,1,2,2,2-pentafluoroethanethiol pentafluoride?
The InChIKey is DDWSCDXOPLRWTI-UHFFFAOYSA-I. The full InChI is InChI=1S/C2HF5S.5FH/c3-1(4,5)2(6,7)8;;;;;/h8H;5*1H/p-5.
What are the key properties of 1,1,2,2,2-pentafluoroethanethiol pentafluoride?
1,1,2,2,2-pentafluoroethanethiol pentafluoride has a molecular weight of 247.08 g/mol, XLogP of -12.91, 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 pentafluoride is sourced from PubChem (CID 19050249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).