3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane

C7H11F5S2 — CID 10400060

IUPAC3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane
SMILESCCSC(SCC)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5S2/c1-3-13-5(14-4-2)6(8,9)7(10,11)12/h5H,3-4H2,1-2H3
InChIKeyUZJDEHKRTCXSMD-UHFFFAOYSA-N
MW254.29 g/mol
LogP4.02
Rot. Bonds5

About 3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane

3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane (PubChem CID 10400060) has the molecular formula C7H11F5S2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane.

Molecular Properties

Compound Name3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane
PubChem CID10400060
Molecular FormulaC7H11F5S2
Molecular Weight254.29 g/mol
Exact Mass254.02
IUPAC Name3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane
SMILESCCSC(SCC)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5S2/c1-3-13-5(14-4-2)6(8,9)7(10,11)12/h5H,3-4H2,1-2H3
InChIKeyUZJDEHKRTCXSMD-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane?
The IUPAC name of 3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane (CID 10400060) is 3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane.
What is the SMILES notation for 3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane?
The canonical SMILES for 3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane is CCSC(SCC)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane?
The InChIKey is UZJDEHKRTCXSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5S2/c1-3-13-5(14-4-2)6(8,9)7(10,11)12/h5H,3-4H2,1-2H3.
What are the key properties of 3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane?
3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane has a molecular weight of 254.29 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(ethylsulfanyl)-1,1,1,2,2-pentafluoropropane is sourced from PubChem (CID 10400060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).