3-tert-butyl-2-fluoro-4-propan-2-ylthiophene

C11H17FS — CID 169322254

IUPAC3-tert-butyl-2-fluoro-4-propan-2-ylthiophene
SMILESCC(C)c1csc(F)c1C(C)(C)C
InChIInChI=1S/C11H17FS/c1-7(2)8-6-13-10(12)9(8)11(3,4)5/h6-7H,1-5H3
InChIKeySOPZWQNKDFGJBN-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.31
Rot. Bonds1

About 3-tert-butyl-2-fluoro-4-propan-2-ylthiophene

3-tert-butyl-2-fluoro-4-propan-2-ylthiophene (PubChem CID 169322254) has the molecular formula C11H17FS and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-tert-butyl-2-fluoro-4-propan-2-ylthiophene.

Molecular Properties

Compound Name3-tert-butyl-2-fluoro-4-propan-2-ylthiophene
PubChem CID169322254
Molecular FormulaC11H17FS
Molecular Weight200.32 g/mol
Exact Mass200.10
IUPAC Name3-tert-butyl-2-fluoro-4-propan-2-ylthiophene
SMILESCC(C)c1csc(F)c1C(C)(C)C
InChIInChI=1S/C11H17FS/c1-7(2)8-6-13-10(12)9(8)11(3,4)5/h6-7H,1-5H3
InChIKeySOPZWQNKDFGJBN-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-fluoro-4-propan-2-ylthiophene?
The IUPAC name of 3-tert-butyl-2-fluoro-4-propan-2-ylthiophene (CID 169322254) is 3-tert-butyl-2-fluoro-4-propan-2-ylthiophene.
What is the SMILES notation for 3-tert-butyl-2-fluoro-4-propan-2-ylthiophene?
The canonical SMILES for 3-tert-butyl-2-fluoro-4-propan-2-ylthiophene is CC(C)c1csc(F)c1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-fluoro-4-propan-2-ylthiophene?
The InChIKey is SOPZWQNKDFGJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FS/c1-7(2)8-6-13-10(12)9(8)11(3,4)5/h6-7H,1-5H3.
What are the key properties of 3-tert-butyl-2-fluoro-4-propan-2-ylthiophene?
3-tert-butyl-2-fluoro-4-propan-2-ylthiophene has a molecular weight of 200.32 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-fluoro-4-propan-2-ylthiophene is sourced from PubChem (CID 169322254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).