[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite

C8H11FS — CID 143818483

IUPAC[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite
SMILESC=C/C(=C\C(C)=C/C)SF
InChIInChI=1S/C8H11FS/c1-4-7(3)6-8(5-2)10-9/h4-6H,2H2,1,3H3/b7-4-,8-6+
InChIKeyMRNLBHGXIKBXTF-ZJLRGQKUSA-N
MW158.24 g/mol
LogP3.64
Rot. Bonds3

About [(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite

[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite (PubChem CID 143818483) has the molecular formula C8H11FS and a molecular weight of 158.24 g/mol. Its IUPAC name is [(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite
PubChem CID143818483
Molecular FormulaC8H11FS
Molecular Weight158.24 g/mol
Exact Mass158.06
IUPAC Name[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite
SMILESC=C/C(=C\C(C)=C/C)SF
InChIInChI=1S/C8H11FS/c1-4-7(3)6-8(5-2)10-9/h4-6H,2H2,1,3H3/b7-4-,8-6+
InChIKeyMRNLBHGXIKBXTF-ZJLRGQKUSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.64
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 [(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite?
The IUPAC name of [(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite (CID 143818483) is [(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite.
What is the SMILES notation for [(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite?
The canonical SMILES for [(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite is C=C/C(=C\C(C)=C/C)SF.
What is the InChIKey of [(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite?
The InChIKey is MRNLBHGXIKBXTF-ZJLRGQKUSA-N. The full InChI is InChI=1S/C8H11FS/c1-4-7(3)6-8(5-2)10-9/h4-6H,2H2,1,3H3/b7-4-,8-6+.
What are the key properties of [(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite?
[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite has a molecular weight of 158.24 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite is sourced from PubChem (CID 143818483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).