propyl 2,2,3,3-tetrafluoropropanedithioate

C6H8F4S2 — CID 4737269

IUPACpropyl 2,2,3,3-tetrafluoropropanedithioate
SMILESCCCSC(=S)C(F)(F)C(F)F
InChIInChI=1S/C6H8F4S2/c1-2-3-12-5(11)6(9,10)4(7)8/h4H,2-3H2,1H3
InChIKeyBRQLCZKBUWNUBD-UHFFFAOYSA-N
MW220.26 g/mol
LogP3.36
Rot. Bonds4

About propyl 2,2,3,3-tetrafluoropropanedithioate

propyl 2,2,3,3-tetrafluoropropanedithioate (PubChem CID 4737269) has the molecular formula C6H8F4S2 and a molecular weight of 220.26 g/mol. Its IUPAC name is propyl 2,2,3,3-tetrafluoropropanedithioate.

Molecular Properties

Compound Namepropyl 2,2,3,3-tetrafluoropropanedithioate
PubChem CID4737269
Molecular FormulaC6H8F4S2
Molecular Weight220.26 g/mol
Exact Mass220.00
IUPAC Namepropyl 2,2,3,3-tetrafluoropropanedithioate
SMILESCCCSC(=S)C(F)(F)C(F)F
InChIInChI=1S/C6H8F4S2/c1-2-3-12-5(11)6(9,10)4(7)8/h4H,2-3H2,1H3
InChIKeyBRQLCZKBUWNUBD-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene
CID 15938579
CID 158814138
CID 158814138
methanol;propyl carbamodithioate
CID 174248667
magnesium;hydride;propyl carbamodithioate
CID 174927157
(Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene
CID 102096238
propyl N-chlorocarbamodithioate
CID 174631169
bis(propylsulfanyl)methanone
CID 536266
propyl N-methyl-N-sulfanylcarbamodithioate
CID 174421496
ethyl 2-amino-4-(3,3,3-trifluoropropylsulfanyl)butanoate
CID 64553138
1-prop-1-en-2-ylsulfanylpropane
CID 118361917
ethanol;1-propylsulfanylpropane
CID 175163753
butyl 2,2,2-trifluoro-N-hydroxyethanimidothioate
CID 71409090

Frequently Asked Questions

What is the IUPAC name of propyl 2,2,3,3-tetrafluoropropanedithioate?
The IUPAC name of propyl 2,2,3,3-tetrafluoropropanedithioate (CID 4737269) is propyl 2,2,3,3-tetrafluoropropanedithioate.
What is the SMILES notation for propyl 2,2,3,3-tetrafluoropropanedithioate?
The canonical SMILES for propyl 2,2,3,3-tetrafluoropropanedithioate is CCCSC(=S)C(F)(F)C(F)F.
What is the InChIKey of propyl 2,2,3,3-tetrafluoropropanedithioate?
The InChIKey is BRQLCZKBUWNUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4S2/c1-2-3-12-5(11)6(9,10)4(7)8/h4H,2-3H2,1H3.
What are the key properties of propyl 2,2,3,3-tetrafluoropropanedithioate?
propyl 2,2,3,3-tetrafluoropropanedithioate has a molecular weight of 220.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2,2,3,3-tetrafluoropropanedithioate is sourced from PubChem (CID 4737269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).