(3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene

C10H13FS — CID 135231187

IUPAC(3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene
SMILESC=C/C=C(\C)SC(=C)/C=C(\C)F
InChIInChI=1S/C10H13FS/c1-5-6-9(3)12-10(4)7-8(2)11/h5-7H,1,4H2,2-3H3/b8-7+,9-6+
InChIKeyRQMIRQVUOJVDDG-KHHFIZIMSA-N
MW184.28 g/mol
LogP4.20
Rot. Bonds4

About (3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene

(3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene (PubChem CID 135231187) has the molecular formula C10H13FS and a molecular weight of 184.28 g/mol. Its IUPAC name is (3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene
PubChem CID135231187
Molecular FormulaC10H13FS
Molecular Weight184.28 g/mol
Exact Mass184.07
IUPAC Name(3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene
SMILESC=C/C=C(\C)SC(=C)/C=C(\C)F
InChIInChI=1S/C10H13FS/c1-5-6-9(3)12-10(4)7-8(2)11/h5-7H,1,4H2,2-3H3/b8-7+,9-6+
InChIKeyRQMIRQVUOJVDDG-KHHFIZIMSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.20
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

(2E,4Z)-2-(1-chloro-1-fluoroethyl)sulfanylhexa-2,4-diene
CID 139417196
(3E)-2-ethenylsulfanyl-4-fluoropenta-1,3-diene
CID 141960659
(3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene
CID 142053850
(1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene
CID 142097950
1-Fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene
CID 142185338
(3Z)-2-fluoro-5-methylsulfanylhexa-1,3,5-triene
CID 143206163
(3E,5Z)-2-fluoro-3-methylsulfanylhepta-1,3,5-triene
CID 143284367
ethane;(3E,5Z)-4-(trifluoromethylsulfanyl)octa-1,3,5,7-tetraene
CID 143581546
(3E)-4-fluoro-2-methylsulfanylhexa-1,3,5-triene
CID 145127512
(3E,5Z)-3-(trifluoromethylsulfanyl)hepta-1,3,5-triene
CID 155715703
(3Z)-2-(1-fluoroethylsulfanyl)hexa-1,3,5-triene
CID 169957674
(3E)-2-fluoro-3-methylsulfanylhexa-1,3,5-triene
CID 171501781

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene?
The IUPAC name of (3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene (CID 135231187) is (3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene.
What is the SMILES notation for (3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene?
The canonical SMILES for (3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene is C=C/C=C(\C)SC(=C)/C=C(\C)F.
What is the InChIKey of (3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene?
The InChIKey is RQMIRQVUOJVDDG-KHHFIZIMSA-N. The full InChI is InChI=1S/C10H13FS/c1-5-6-9(3)12-10(4)7-8(2)11/h5-7H,1,4H2,2-3H3/b8-7+,9-6+.
What are the key properties of (3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene?
(3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene has a molecular weight of 184.28 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene is sourced from PubChem (CID 135231187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).