chloro-tetrafluoro-pentyl-λ6-sulfane

C5H11ClF4S — CID 90100937

IUPACchloro-tetrafluoro-pentyl-λ6-sulfane
SMILESCCCCCS(F)(F)(F)(F)Cl
InChIInChI=1S/C5H11ClF4S/c1-2-3-4-5-11(6,7,8,9)10/h2-5H2,1H3
InChIKeyQJDRLFHGHGRLDD-UHFFFAOYSA-N
MW214.65 g/mol
LogP4.74
Rot. Bonds4

About chloro-tetrafluoro-pentyl-λ6-sulfane

chloro-tetrafluoro-pentyl-λ6-sulfane (PubChem CID 90100937) has the molecular formula C5H11ClF4S and a molecular weight of 214.65 g/mol. Its IUPAC name is chloro-tetrafluoro-pentyl-λ6-sulfane.

Molecular Properties

Compound Namechloro-tetrafluoro-pentyl-λ6-sulfane
PubChem CID90100937
Molecular FormulaC5H11ClF4S
Molecular Weight214.65 g/mol
Exact Mass214.02
IUPAC Namechloro-tetrafluoro-pentyl-λ6-sulfane
SMILESCCCCCS(F)(F)(F)(F)Cl
InChIInChI=1S/C5H11ClF4S/c1-2-3-4-5-11(6,7,8,9)10/h2-5H2,1H3
InChIKeyQJDRLFHGHGRLDD-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 54.74
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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Frequently Asked Questions

What is the IUPAC name of chloro-tetrafluoro-pentyl-λ6-sulfane?
The IUPAC name of chloro-tetrafluoro-pentyl-λ6-sulfane (CID 90100937) is chloro-tetrafluoro-pentyl-λ6-sulfane.
What is the SMILES notation for chloro-tetrafluoro-pentyl-λ6-sulfane?
The canonical SMILES for chloro-tetrafluoro-pentyl-λ6-sulfane is CCCCCS(F)(F)(F)(F)Cl.
What is the InChIKey of chloro-tetrafluoro-pentyl-λ6-sulfane?
The InChIKey is QJDRLFHGHGRLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClF4S/c1-2-3-4-5-11(6,7,8,9)10/h2-5H2,1H3.
What are the key properties of chloro-tetrafluoro-pentyl-λ6-sulfane?
chloro-tetrafluoro-pentyl-λ6-sulfane has a molecular weight of 214.65 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tetrafluoro-pentyl-λ6-sulfane is sourced from PubChem (CID 90100937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).