(3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene

C11H13FS — CID 163415117

IUPAC(3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene
SMILESC=C/C(C)=C(F)\C=C1\C=C(C)SC1
InChIInChI=1S/C11H13FS/c1-4-8(2)11(12)6-10-5-9(3)13-7-10/h4-6H,1,7H2,2-3H3/b10-6-,11-8+
InChIKeyADSZGZIRKNSSKK-YANFREPOSA-N
MW196.29 g/mol
LogP3.99
Rot. Bonds2

About (3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene

(3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene (PubChem CID 163415117) has the molecular formula C11H13FS and a molecular weight of 196.29 g/mol. Its IUPAC name is (3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene.

Molecular Properties

Compound Name(3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene
PubChem CID163415117
Molecular FormulaC11H13FS
Molecular Weight196.29 g/mol
Exact Mass196.07
IUPAC Name(3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene
SMILESC=C/C(C)=C(F)\C=C1\C=C(C)SC1
InChIInChI=1S/C11H13FS/c1-4-8(2)11(12)6-10-5-9(3)13-7-10/h4-6H,1,7H2,2-3H3/b10-6-,11-8+
InChIKeyADSZGZIRKNSSKK-YANFREPOSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(Cyclopenta-2,4-dien-1-ylidene)thiane
CID 12926918
Methylcyclopenta[b]thiophene
CID 21095561
Thiaazulene
CID 22111386
4-Ethylthiocyclopentadiene
CID 68403138
2-Fluoro-5-(2-methylbutan-2-ylsulfanyl)cyclohexa-1,3-diene
CID 68058112
7-Fluoro-7-methyl-2-(propan-2-ylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 70967274
6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
CID 89233565
10-Fluoro-4,7-dimethyl-5lambda6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene
CID 90896513
13-Fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene
CID 91527849
7,7-Difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
CID 123169330
6-(2-Methylbut-1-enylsulfanyl)-5-methylidene-3-(trifluoromethyl)hepta-1,3,6-triene
CID 123359278
4-Fluoro-3-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 123406958

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene?
The IUPAC name of (3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene (CID 163415117) is (3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene.
What is the SMILES notation for (3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene?
The canonical SMILES for (3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene is C=C/C(C)=C(F)\C=C1\C=C(C)SC1.
What is the InChIKey of (3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene?
The InChIKey is ADSZGZIRKNSSKK-YANFREPOSA-N. The full InChI is InChI=1S/C11H13FS/c1-4-8(2)11(12)6-10-5-9(3)13-7-10/h4-6H,1,7H2,2-3H3/b10-6-,11-8+.
What are the key properties of (3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene?
(3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene has a molecular weight of 196.29 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene is sourced from PubChem (CID 163415117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).