(4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane

C16H28FNS — CID 155402945

IUPAC(4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane
SMILESC=C/C(F)=C(\C=C1/C(C)CS(C)(C)C(C)N1C)CC
InChIInChI=1S/C16H28FNS/c1-8-14(15(17)9-2)10-16-12(3)11-19(6,7)13(4)18(16)5/h9-10,12-13H,2,8,11H2,1,3-7H3/b15-14+,16-10+
InChIKeyBVWFCXTXANJYGM-AYCNDHBZSA-N
MW285.47 g/mol
LogP4.68
Rot. Bonds3

About (4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane

(4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane (PubChem CID 155402945) has the molecular formula C16H28FNS and a molecular weight of 285.47 g/mol. Its IUPAC name is (4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane.

Molecular Properties

Compound Name(4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane
PubChem CID155402945
Molecular FormulaC16H28FNS
Molecular Weight285.47 g/mol
Exact Mass285.19
IUPAC Name(4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane
SMILESC=C/C(F)=C(\C=C1/C(C)CS(C)(C)C(C)N1C)CC
InChIInChI=1S/C16H28FNS/c1-8-14(15(17)9-2)10-16-12(3)11-19(6,7)13(4)18(16)5/h9-10,12-13H,2,8,11H2,1,3-7H3/b15-14+,16-10+
InChIKeyBVWFCXTXANJYGM-AYCNDHBZSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.68
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 (4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane?
The IUPAC name of (4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane (CID 155402945) is (4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane.
What is the SMILES notation for (4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane?
The canonical SMILES for (4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane is C=C/C(F)=C(\C=C1/C(C)CS(C)(C)C(C)N1C)CC.
What is the InChIKey of (4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane?
The InChIKey is BVWFCXTXANJYGM-AYCNDHBZSA-N. The full InChI is InChI=1S/C16H28FNS/c1-8-14(15(17)9-2)10-16-12(3)11-19(6,7)13(4)18(16)5/h9-10,12-13H,2,8,11H2,1,3-7H3/b15-14+,16-10+.
What are the key properties of (4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane?
(4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane has a molecular weight of 285.47 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane is sourced from PubChem (CID 155402945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).