pentafluoro(pentyl)-λ6-sulfane

C5H11F5S — CID 87183785

IUPACpentafluoro(pentyl)-λ6-sulfane
SMILESCCCCCS(F)(F)(F)(F)F
InChIInChI=1S/C5H11F5S/c1-2-3-4-5-11(6,7,8,9)10/h2-5H2,1H3
InChIKeyFUPUDNIAJBTNBZ-UHFFFAOYSA-N
MW198.20 g/mol
LogP4.48
Rot. Bonds4

About pentafluoro(pentyl)-λ6-sulfane

pentafluoro(pentyl)-λ6-sulfane (PubChem CID 87183785) has the molecular formula C5H11F5S and a molecular weight of 198.20 g/mol. Its IUPAC name is pentafluoro(pentyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(pentyl)-λ6-sulfane
PubChem CID87183785
Molecular FormulaC5H11F5S
Molecular Weight198.20 g/mol
Exact Mass198.05
IUPAC Namepentafluoro(pentyl)-λ6-sulfane
SMILESCCCCCS(F)(F)(F)(F)F
InChIInChI=1S/C5H11F5S/c1-2-3-4-5-11(6,7,8,9)10/h2-5H2,1H3
InChIKeyFUPUDNIAJBTNBZ-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Chloro-tetrafluoro-hexyl-lambda6-sulfane
CID 176437544
Hexyl thiohypofluorite
CID 59067997
Pentyl thiohypofluorite
CID 87665741
Trifluoro(pentyl)-lambda4-sulfane
CID 87899636
Chloro-tetrafluoro-pentyl-lambda6-sulfane
CID 90100937
1,1,2,2-Tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite
CID 91265508
1,1,2,2-Tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite
CID 91274295
Tetrafluoro-methyl-propan-2-yl-lambda6-sulfane
CID 124164848
Butan-2-yl(trifluoro)-lambda4-sulfane
CID 137504764
Hexan-2-yl thiohypofluorite
CID 154931702
Butyl(trifluoro)-lambda4-sulfane
CID 174136410
Butyl(pentafluoro)-lambda6-sulfane
CID 174603136

Frequently Asked Questions

What is the IUPAC name of pentafluoro(pentyl)-λ6-sulfane?
The IUPAC name of pentafluoro(pentyl)-λ6-sulfane (CID 87183785) is pentafluoro(pentyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(pentyl)-λ6-sulfane?
The canonical SMILES for pentafluoro(pentyl)-λ6-sulfane is CCCCCS(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro(pentyl)-λ6-sulfane?
The InChIKey is FUPUDNIAJBTNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F5S/c1-2-3-4-5-11(6,7,8,9)10/h2-5H2,1H3.
What are the key properties of pentafluoro(pentyl)-λ6-sulfane?
pentafluoro(pentyl)-λ6-sulfane has a molecular weight of 198.20 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(pentyl)-λ6-sulfane is sourced from PubChem (CID 87183785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).