trifluoro(pentyl)-λ4-sulfane

C5H11F3S — CID 87899636

IUPACtrifluoro(pentyl)-λ4-sulfane
SMILESCCCCCS(F)(F)F
InChIInChI=1S/C5H11F3S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3
InChIKeyYVYQOWCFTIEMSH-UHFFFAOYSA-N
MW160.20 g/mol
LogP3.63
Rot. Bonds4

About trifluoro(pentyl)-λ4-sulfane

trifluoro(pentyl)-λ4-sulfane (PubChem CID 87899636) has the molecular formula C5H11F3S and a molecular weight of 160.20 g/mol. Its IUPAC name is trifluoro(pentyl)-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro(pentyl)-λ4-sulfane
PubChem CID87899636
Molecular FormulaC5H11F3S
Molecular Weight160.20 g/mol
Exact Mass160.05
IUPAC Nametrifluoro(pentyl)-λ4-sulfane
SMILESCCCCCS(F)(F)F
InChIInChI=1S/C5H11F3S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3
InChIKeyYVYQOWCFTIEMSH-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 53.63
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

n-Butyl sulfonium fluoride
CID 118977569
Chloro-tetrafluoro-hexyl-lambda6-sulfane
CID 176437544
Cyclopentyl(trifluoro)-lambda4-sulfane
CID 14694017
Hexyl thiohypofluorite
CID 59067997
Heptyl thiohypofluorite
CID 59366553
Pentafluoro(pentyl)-lambda6-sulfane
CID 87183785
Pentyl thiohypofluorite
CID 87665741
Chloro-tetrafluoro-pentyl-lambda6-sulfane
CID 90100937
[(2R)-butan-2-yl] thiohypofluorite
CID 122692134
Butan-2-yl(trifluoro)-lambda4-sulfane
CID 137504764
Butan-2-yl thiohypofluorite
CID 143749976
Hexan-2-yl thiohypofluorite
CID 154931702

Frequently Asked Questions

What is the IUPAC name of trifluoro(pentyl)-λ4-sulfane?
The IUPAC name of trifluoro(pentyl)-λ4-sulfane (CID 87899636) is trifluoro(pentyl)-λ4-sulfane.
What is the SMILES notation for trifluoro(pentyl)-λ4-sulfane?
The canonical SMILES for trifluoro(pentyl)-λ4-sulfane is CCCCCS(F)(F)F.
What is the InChIKey of trifluoro(pentyl)-λ4-sulfane?
The InChIKey is YVYQOWCFTIEMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3.
What are the key properties of trifluoro(pentyl)-λ4-sulfane?
trifluoro(pentyl)-λ4-sulfane has a molecular weight of 160.20 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(pentyl)-λ4-sulfane is sourced from PubChem (CID 87899636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).