trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane

C10H12F4S — CID 170367921

IUPACtrifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane
SMILESC=C/C(F)=C\C(=C/C(=C)CC)S(F)(F)F
InChIInChI=1S/C10H12F4S/c1-4-8(3)6-10(15(12,13)14)7-9(11)5-2/h5-7H,2-4H2,1H3/b9-7+,10-6+
InChIKeyAAQHKHUAPMQEOL-IDXDHNASSA-N
MW240.26 g/mol
LogP5.33
Rot. Bonds5

About trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane

trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane (PubChem CID 170367921) has the molecular formula C10H12F4S and a molecular weight of 240.26 g/mol. Its IUPAC name is trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane
PubChem CID170367921
Molecular FormulaC10H12F4S
Molecular Weight240.26 g/mol
Exact Mass240.06
IUPAC Nametrifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane
SMILESC=C/C(F)=C\C(=C/C(=C)CC)S(F)(F)F
InChIInChI=1S/C10H12F4S/c1-4-8(3)6-10(15(12,13)14)7-9(11)5-2/h5-7H,2-4H2,1H3/b9-7+,10-6+
InChIKeyAAQHKHUAPMQEOL-IDXDHNASSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.26
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane?
The IUPAC name of trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane (CID 170367921) is trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane.
What is the SMILES notation for trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane?
The canonical SMILES for trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane is C=C/C(F)=C\C(=C/C(=C)CC)S(F)(F)F.
What is the InChIKey of trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane?
The InChIKey is AAQHKHUAPMQEOL-IDXDHNASSA-N. The full InChI is InChI=1S/C10H12F4S/c1-4-8(3)6-10(15(12,13)14)7-9(11)5-2/h5-7H,2-4H2,1H3/b9-7+,10-6+.
What are the key properties of trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane?
trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane has a molecular weight of 240.26 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(3E,5E)-3-fluoro-7-methylidenenona-1,3,5-trien-5-yl]-λ4-sulfane is sourced from PubChem (CID 170367921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).