fluorobenzene;1-pentylsulfanyloxysulfanylpentane

C16H27FOS2 — CID 139560592

IUPACfluorobenzene;1-pentylsulfanyloxysulfanylpentane
SMILESCCCCCSOSCCCCC.Fc1ccccc1
InChIInChI=1S/C10H22OS2.C6H5F/c1-3-5-7-9-12-11-13-10-8-6-4-2;7-6-4-2-1-3-5-6/h3-10H2,1-2H3;1-5H
InChIKeyFTCJXGXXEJJQMW-UHFFFAOYSA-N
MW318.52 g/mol
LogP6.51
Rot. Bonds10

About fluorobenzene;1-pentylsulfanyloxysulfanylpentane

fluorobenzene;1-pentylsulfanyloxysulfanylpentane (PubChem CID 139560592) has the molecular formula C16H27FOS2 and a molecular weight of 318.52 g/mol. Its IUPAC name is fluorobenzene;1-pentylsulfanyloxysulfanylpentane.

Molecular Properties

Compound Namefluorobenzene;1-pentylsulfanyloxysulfanylpentane
PubChem CID139560592
Molecular FormulaC16H27FOS2
Molecular Weight318.52 g/mol
Exact Mass318.15
IUPAC Namefluorobenzene;1-pentylsulfanyloxysulfanylpentane
SMILESCCCCCSOSCCCCC.Fc1ccccc1
InChIInChI=1S/C10H22OS2.C6H5F/c1-3-5-7-9-12-11-13-10-8-6-4-2;7-6-4-2-1-3-5-6/h3-10H2,1-2H3;1-5H
InChIKeyFTCJXGXXEJJQMW-UHFFFAOYSA-N
XLogP6.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.52
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

fluorobenzene;hexane
CID 158112243
1-hexylsulfanyloxysulfanylhexane
CID 87712017
fluorobenzene;1-hexoxyhexane
CID 174664464
nickel;octylsulfanylbenzene
CID 157277722
1,3-dipentylbenzene;fluorobenzene
CID 174957175
1,2-bis(tricosylsulfanyl)benzene
CID 91011021
1-methylsulfanyl-2-pentylsulfanylbenzene
CID 91655922
2,13-bis(decylsulfanyl)tricyclo[12.8.0.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 154692254
2-pentoxyethylsulfanylbenzene
CID 79403621
2-pentylsulfanyl-2-phenylethanol
CID 102415484
3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol
CID 10471632
1-(4-fluorophenyl)-N-heptylsulfanylethanamine
CID 142359955

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;1-pentylsulfanyloxysulfanylpentane?
The IUPAC name of fluorobenzene;1-pentylsulfanyloxysulfanylpentane (CID 139560592) is fluorobenzene;1-pentylsulfanyloxysulfanylpentane.
What is the SMILES notation for fluorobenzene;1-pentylsulfanyloxysulfanylpentane?
The canonical SMILES for fluorobenzene;1-pentylsulfanyloxysulfanylpentane is CCCCCSOSCCCCC.Fc1ccccc1.
What is the InChIKey of fluorobenzene;1-pentylsulfanyloxysulfanylpentane?
The InChIKey is FTCJXGXXEJJQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS2.C6H5F/c1-3-5-7-9-12-11-13-10-8-6-4-2;7-6-4-2-1-3-5-6/h3-10H2,1-2H3;1-5H.
What are the key properties of fluorobenzene;1-pentylsulfanyloxysulfanylpentane?
fluorobenzene;1-pentylsulfanyloxysulfanylpentane has a molecular weight of 318.52 g/mol, XLogP of 6.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;1-pentylsulfanyloxysulfanylpentane is sourced from PubChem (CID 139560592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).