4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole

C14H18FNS — CID 142516310

IUPAC4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole
SMILESC/C=C(\C=C/C(F)=C/CC)c1nc(C)sc1C
InChIInChI=1S/C14H18FNS/c1-5-7-13(15)9-8-12(6-2)14-10(3)17-11(4)16-14/h6-9H,5H2,1-4H3/b9-8-,12-6+,13-7-
InChIKeyZHJWRCLNIDGMKG-DGARHEKDSA-N
MW251.37 g/mol
LogP4.98
Rot. Bonds4

About 4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole

4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole (PubChem CID 142516310) has the molecular formula C14H18FNS and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole
PubChem CID142516310
Molecular FormulaC14H18FNS
Molecular Weight251.37 g/mol
Exact Mass251.11
IUPAC Name4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole
SMILESC/C=C(\C=C/C(F)=C/CC)c1nc(C)sc1C
InChIInChI=1S/C14H18FNS/c1-5-7-13(15)9-8-12(6-2)14-10(3)17-11(4)16-14/h6-9H,5H2,1-4H3/b9-8-,12-6+,13-7-
InChIKeyZHJWRCLNIDGMKG-DGARHEKDSA-N
XLogP4.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole (CID 142516310) is 4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole is C/C=C(\C=C/C(F)=C/CC)c1nc(C)sc1C.
What is the InChIKey of 4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole?
The InChIKey is ZHJWRCLNIDGMKG-DGARHEKDSA-N. The full InChI is InChI=1S/C14H18FNS/c1-5-7-13(15)9-8-12(6-2)14-10(3)17-11(4)16-14/h6-9H,5H2,1-4H3/b9-8-,12-6+,13-7-.
What are the key properties of 4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole?
4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole has a molecular weight of 251.37 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 142516310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).