(E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene

C7H9F5S — CID 87187516

IUPAC(E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene
SMILESCSC/C=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/b5-3+
InChIKeyUCVJISBWOLLLIB-HWKANZROSA-N
MW220.21 g/mol
LogP3.49
Rot. Bonds3

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

(E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene (PubChem CID 87187516) has the molecular formula C7H9F5S and a molecular weight of 220.21 g/mol. Its IUPAC name is (E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene.

Molecular Properties

Compound Name(E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene
PubChem CID87187516
Molecular FormulaC7H9F5S
Molecular Weight220.21 g/mol
Exact Mass220.03
IUPAC Name(E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene
SMILESCSC/C=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/b5-3+
InChIKeyUCVJISBWOLLLIB-HWKANZROSA-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'}

Analyze (E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene?
The IUPAC name of (E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene (CID 87187516) is (E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene.
What is the SMILES notation for (E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene?
The canonical SMILES for (E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene is CSC/C=C(\C)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene?
The InChIKey is UCVJISBWOLLLIB-HWKANZROSA-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/b5-3+.
What are the key properties of (E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene?
(E)-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 (E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene is sourced from PubChem (CID 87187516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).