4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene

C7H9F5S — CID 90919734

IUPAC4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene
SMILESCSCC=C(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5S/c1-5(3-4-13-2)6(8,9)7(10,11)12/h3H,4H2,1-2H3
InChIKeyUCVJISBWOLLLIB-UHFFFAOYSA-N
MW220.21 g/mol
LogP3.49
Rot. Bonds3

About 4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene

4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene (PubChem CID 90919734) has the molecular formula C7H9F5S and a molecular weight of 220.21 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene
PubChem CID90919734
Molecular FormulaC7H9F5S
Molecular Weight220.21 g/mol
Exact Mass220.03
IUPAC Name4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene
SMILESCSCC=C(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5S/c1-5(3-4-13-2)6(8,9)7(10,11)12/h3H,4H2,1-2H3
InChIKeyUCVJISBWOLLLIB-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene?
The IUPAC name of 4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene (CID 90919734) is 4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene?
The canonical SMILES for 4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene is CSCC=C(C)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene?
The InChIKey is UCVJISBWOLLLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5S/c1-5(3-4-13-2)6(8,9)7(10,11)12/h3H,4H2,1-2H3.
What are the key properties of 4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene?
4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene has a molecular weight of 220.21 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene is sourced from PubChem (CID 90919734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).