(3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene

C17H20F4S — CID 138511414

IUPAC(3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene
SMILESC=C(F)/C(C)=C\C(=C/F)CC(/C=C/SC)=C(C)/C(F)=C(\C)F
InChIInChI=1S/C17H20F4S/c1-11(13(3)19)8-15(10-18)9-16(6-7-22-5)12(2)17(21)14(4)20/h6-8,10H,3,9H2,1-2,4-5H3/b7-6+,11-8-,15-10+,16-12+,17-14-
InChIKeyUTMMDERLIQCNAE-FTIMPOBHSA-N
MW332.41 g/mol
LogP7.02
Rot. Bonds7

About (3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene

(3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene (PubChem CID 138511414) has the molecular formula C17H20F4S and a molecular weight of 332.41 g/mol. Its IUPAC name is (3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene
PubChem CID138511414
Molecular FormulaC17H20F4S
Molecular Weight332.41 g/mol
Exact Mass332.12
IUPAC Name(3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene
SMILESC=C(F)/C(C)=C\C(=C/F)CC(/C=C/SC)=C(C)/C(F)=C(\C)F
InChIInChI=1S/C17H20F4S/c1-11(13(3)19)8-15(10-18)9-16(6-7-22-5)12(2)17(21)14(4)20/h6-8,10H,3,9H2,1-2,4-5H3/b7-6+,11-8-,15-10+,16-12+,17-14-
InChIKeyUTMMDERLIQCNAE-FTIMPOBHSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene?
The IUPAC name of (3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene (CID 138511414) is (3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene.
What is the SMILES notation for (3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene?
The canonical SMILES for (3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene is C=C(F)/C(C)=C\C(=C/F)CC(/C=C/SC)=C(C)/C(F)=C(\C)F.
What is the InChIKey of (3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene?
The InChIKey is UTMMDERLIQCNAE-FTIMPOBHSA-N. The full InChI is InChI=1S/C17H20F4S/c1-11(13(3)19)8-15(10-18)9-16(6-7-22-5)12(2)17(21)14(4)20/h6-8,10H,3,9H2,1-2,4-5H3/b7-6+,11-8-,15-10+,16-12+,17-14-.
What are the key properties of (3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene?
(3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene has a molecular weight of 332.41 g/mol, XLogP of 7.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z,9Z)-2,9,10-trifluoro-5-(fluoromethylidene)-3,8-dimethyl-7-[(E)-2-methylsulfanylethenyl]undeca-1,3,7,9-tetraene is sourced from PubChem (CID 138511414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).