2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene

C23H34F2OS2 — CID 58434911

IUPAC2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene
SMILESCCCCCCCCCCCCOc1c(-c2sc(C)c(F)c2C)sc(C)c1F
InChIInChI=1S/C23H34F2OS2/c1-5-6-7-8-9-10-11-12-13-14-15-26-21-20(25)18(4)28-23(21)22-16(2)19(24)17(3)27-22/h5-15H2,1-4H3
InChIKeyXHNRLFVHYFGDHI-UHFFFAOYSA-N
MW428.65 g/mol
LogP8.98
Rot. Bonds13

About 2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene

2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene (PubChem CID 58434911) has the molecular formula C23H34F2OS2 and a molecular weight of 428.65 g/mol. Its IUPAC name is 2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene.

Molecular Properties

Compound Name2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene
PubChem CID58434911
Molecular FormulaC23H34F2OS2
Molecular Weight428.65 g/mol
Exact Mass428.20
IUPAC Name2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene
SMILESCCCCCCCCCCCCOc1c(-c2sc(C)c(F)c2C)sc(C)c1F
InChIInChI=1S/C23H34F2OS2/c1-5-6-7-8-9-10-11-12-13-14-15-26-21-20(25)18(4)28-23(21)22-16(2)19(24)17(3)27-22/h5-15H2,1-4H3
InChIKeyXHNRLFVHYFGDHI-UHFFFAOYSA-N
XLogP8.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.65
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,11,20,25,34,39-hexakis-decoxy-5,7,10,12,19,21,24,26,33,35,38,40-dodecafluorotridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9(14),10,12,15,17,19,21,23,25,27,29,31(36),32,34,37,39,41-henicosaene
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2,5-dibromo-3,4-di(icosoxy)thiophene
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2,12-didodecoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
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CID 58849567
3,7-dimethyl-4,6-dioctoxydibenzothiophene
CID 58849581
4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole
CID 59523074
7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
CID 89136949
2,12-didodecoxy-7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
CID 89136957

Frequently Asked Questions

What is the IUPAC name of 2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene?
The IUPAC name of 2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene (CID 58434911) is 2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene.
What is the SMILES notation for 2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene?
The canonical SMILES for 2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene is CCCCCCCCCCCCOc1c(-c2sc(C)c(F)c2C)sc(C)c1F.
What is the InChIKey of 2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene?
The InChIKey is XHNRLFVHYFGDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2OS2/c1-5-6-7-8-9-10-11-12-13-14-15-26-21-20(25)18(4)28-23(21)22-16(2)19(24)17(3)27-22/h5-15H2,1-4H3.
What are the key properties of 2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene?
2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene has a molecular weight of 428.65 g/mol, XLogP of 8.98, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dodecoxy-4-fluoro-5-methylthiophen-2-yl)-4-fluoro-3,5-dimethylthiophene is sourced from PubChem (CID 58434911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).