5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene

C12H19FOS — CID 146378272

IUPAC5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1sc(F)cc1OC
InChIInChI=1S/C12H19FOS/c1-5-6-7-12(2,3)11-9(14-4)8-10(13)15-11/h8H,5-7H2,1-4H3
InChIKeyQYBTWEOBVQGLTA-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.36
Rot. Bonds5

About 5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene

5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene (PubChem CID 146378272) has the molecular formula C12H19FOS and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene.

Molecular Properties

Compound Name5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene
PubChem CID146378272
Molecular FormulaC12H19FOS
Molecular Weight230.35 g/mol
Exact Mass230.11
IUPAC Name5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1sc(F)cc1OC
InChIInChI=1S/C12H19FOS/c1-5-6-7-12(2,3)11-9(14-4)8-10(13)15-11/h8H,5-7H2,1-4H3
InChIKeyQYBTWEOBVQGLTA-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene?
The IUPAC name of 5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene (CID 146378272) is 5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene.
What is the SMILES notation for 5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene?
The canonical SMILES for 5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene is CCCCC(C)(C)c1sc(F)cc1OC.
What is the InChIKey of 5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene?
The InChIKey is QYBTWEOBVQGLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FOS/c1-5-6-7-12(2,3)11-9(14-4)8-10(13)15-11/h8H,5-7H2,1-4H3.
What are the key properties of 5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene?
5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene has a molecular weight of 230.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene is sourced from PubChem (CID 146378272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).