(1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene

C7H6F6S — CID 100972382

IUPAC(1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene
SMILESCS/C=C(/C=C/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6S/c1-14-4-5(7(11,12)13)2-3-6(8,9)10/h2-4H,1H3/b3-2+,5-4-
InChIKeyPNZGXRMCJBPOOF-IAROGAJJSA-N
MW236.18 g/mol
LogP3.91
Rot. Bonds2

About (1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene

(1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene (PubChem CID 100972382) has the molecular formula C7H6F6S and a molecular weight of 236.18 g/mol. Its IUPAC name is (1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene
PubChem CID100972382
Molecular FormulaC7H6F6S
Molecular Weight236.18 g/mol
Exact Mass236.01
IUPAC Name(1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene
SMILESCS/C=C(/C=C/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6S/c1-14-4-5(7(11,12)13)2-3-6(8,9)10/h2-4H,1H3/b3-2+,5-4-
InChIKeyPNZGXRMCJBPOOF-IAROGAJJSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene?
The IUPAC name of (1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene (CID 100972382) is (1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene.
What is the SMILES notation for (1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene?
The canonical SMILES for (1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene is CS/C=C(/C=C/C(F)(F)F)C(F)(F)F.
What is the InChIKey of (1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene?
The InChIKey is PNZGXRMCJBPOOF-IAROGAJJSA-N. The full InChI is InChI=1S/C7H6F6S/c1-14-4-5(7(11,12)13)2-3-6(8,9)10/h2-4H,1H3/b3-2+,5-4-.
What are the key properties of (1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene?
(1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene has a molecular weight of 236.18 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5,5,5-trifluoro-1-methylsulfanyl-2-(trifluoromethyl)penta-1,3-diene is sourced from PubChem (CID 100972382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).