pentafluoro(7-fluoroheptyl)-λ6-sulfane

C7H14F6S — CID 174871668

IUPACpentafluoro(7-fluoroheptyl)-λ6-sulfane
SMILESFCCCCCCCS(F)(F)(F)(F)F
InChIInChI=1S/C7H14F6S/c8-6-4-2-1-3-5-7-14(9,10,11,12)13/h1-7H2
InChIKeyJTRIVZYYEWZWGA-UHFFFAOYSA-N
MW244.24 g/mol
LogP5.20
Rot. Bonds7

About pentafluoro(7-fluoroheptyl)-λ6-sulfane

pentafluoro(7-fluoroheptyl)-λ6-sulfane (PubChem CID 174871668) has the molecular formula C7H14F6S and a molecular weight of 244.24 g/mol. Its IUPAC name is pentafluoro(7-fluoroheptyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(7-fluoroheptyl)-λ6-sulfane
PubChem CID174871668
Molecular FormulaC7H14F6S
Molecular Weight244.24 g/mol
Exact Mass244.07
IUPAC Namepentafluoro(7-fluoroheptyl)-λ6-sulfane
SMILESFCCCCCCCS(F)(F)(F)(F)F
InChIInChI=1S/C7H14F6S/c8-6-4-2-1-3-5-7-14(9,10,11,12)13/h1-7H2
InChIKeyJTRIVZYYEWZWGA-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.24
LogP ≤ 55.20
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

Pentafluoro-(4-fluorocyclohexyl)-lambda6-sulfane
CID 140478606
Pentafluoro-(2,4,6-trifluorocyclohexyl)-lambda6-sulfane
CID 140507528
6,6,7,7-Tetrafluoroheptane-1-thiol
CID 145199822
6,6,7,7,7-Pentafluoroheptane-1-thiol
CID 164591030
Pentafluoro(6-fluorohexyl)-lambda6-sulfane
CID 174871696
Pentafluoro(7,7,7-trifluoroheptyl)-lambda6-sulfane
CID 174871735

Frequently Asked Questions

What is the IUPAC name of pentafluoro(7-fluoroheptyl)-λ6-sulfane?
The IUPAC name of pentafluoro(7-fluoroheptyl)-λ6-sulfane (CID 174871668) is pentafluoro(7-fluoroheptyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(7-fluoroheptyl)-λ6-sulfane?
The canonical SMILES for pentafluoro(7-fluoroheptyl)-λ6-sulfane is FCCCCCCCS(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro(7-fluoroheptyl)-λ6-sulfane?
The InChIKey is JTRIVZYYEWZWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F6S/c8-6-4-2-1-3-5-7-14(9,10,11,12)13/h1-7H2.
What are the key properties of pentafluoro(7-fluoroheptyl)-λ6-sulfane?
pentafluoro(7-fluoroheptyl)-λ6-sulfane has a molecular weight of 244.24 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(7-fluoroheptyl)-λ6-sulfane is sourced from PubChem (CID 174871668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).