5-tert-butyl-2-fluoro-3-methoxythiophene

C9H13FOS — CID 146378132

IUPAC5-tert-butyl-2-fluoro-3-methoxythiophene
SMILESCOc1cc(C(C)(C)C)sc1F
InChIInChI=1S/C9H13FOS/c1-9(2,3)7-5-6(11-4)8(10)12-7/h5H,1-4H3
InChIKeyGALJNQHWNDCSEK-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.19
Rot. Bonds1

About 5-tert-butyl-2-fluoro-3-methoxythiophene

5-tert-butyl-2-fluoro-3-methoxythiophene (PubChem CID 146378132) has the molecular formula C9H13FOS and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-tert-butyl-2-fluoro-3-methoxythiophene.

Molecular Properties

Compound Name5-tert-butyl-2-fluoro-3-methoxythiophene
PubChem CID146378132
Molecular FormulaC9H13FOS
Molecular Weight188.27 g/mol
Exact Mass188.07
IUPAC Name5-tert-butyl-2-fluoro-3-methoxythiophene
SMILESCOc1cc(C(C)(C)C)sc1F
InChIInChI=1S/C9H13FOS/c1-9(2,3)7-5-6(11-4)8(10)12-7/h5H,1-4H3
InChIKeyGALJNQHWNDCSEK-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-fluoro-3-methoxythiophene?
The IUPAC name of 5-tert-butyl-2-fluoro-3-methoxythiophene (CID 146378132) is 5-tert-butyl-2-fluoro-3-methoxythiophene.
What is the SMILES notation for 5-tert-butyl-2-fluoro-3-methoxythiophene?
The canonical SMILES for 5-tert-butyl-2-fluoro-3-methoxythiophene is COc1cc(C(C)(C)C)sc1F.
What is the InChIKey of 5-tert-butyl-2-fluoro-3-methoxythiophene?
The InChIKey is GALJNQHWNDCSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FOS/c1-9(2,3)7-5-6(11-4)8(10)12-7/h5H,1-4H3.
What are the key properties of 5-tert-butyl-2-fluoro-3-methoxythiophene?
5-tert-butyl-2-fluoro-3-methoxythiophene has a molecular weight of 188.27 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-fluoro-3-methoxythiophene is sourced from PubChem (CID 146378132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).