3-chloro-4-fluoro-2-propan-2-ylthiophene

C7H8ClFS — CID 146392778

IUPAC3-chloro-4-fluoro-2-propan-2-ylthiophene
SMILESCC(C)c1scc(F)c1Cl
InChIInChI=1S/C7H8ClFS/c1-4(2)7-6(8)5(9)3-10-7/h3-4H,1-2H3
InChIKeyYJTVJEQKZNHVLP-UHFFFAOYSA-N
MW178.66 g/mol
LogP3.66
Rot. Bonds1

About 3-chloro-4-fluoro-2-propan-2-ylthiophene

3-chloro-4-fluoro-2-propan-2-ylthiophene (PubChem CID 146392778) has the molecular formula C7H8ClFS and a molecular weight of 178.66 g/mol. Its IUPAC name is 3-chloro-4-fluoro-2-propan-2-ylthiophene.

Molecular Properties

Compound Name3-chloro-4-fluoro-2-propan-2-ylthiophene
PubChem CID146392778
Molecular FormulaC7H8ClFS
Molecular Weight178.66 g/mol
Exact Mass178.00
IUPAC Name3-chloro-4-fluoro-2-propan-2-ylthiophene
SMILESCC(C)c1scc(F)c1Cl
InChIInChI=1S/C7H8ClFS/c1-4(2)7-6(8)5(9)3-10-7/h3-4H,1-2H3
InChIKeyYJTVJEQKZNHVLP-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-2-propan-2-ylthiophene?
The IUPAC name of 3-chloro-4-fluoro-2-propan-2-ylthiophene (CID 146392778) is 3-chloro-4-fluoro-2-propan-2-ylthiophene.
What is the SMILES notation for 3-chloro-4-fluoro-2-propan-2-ylthiophene?
The canonical SMILES for 3-chloro-4-fluoro-2-propan-2-ylthiophene is CC(C)c1scc(F)c1Cl.
What is the InChIKey of 3-chloro-4-fluoro-2-propan-2-ylthiophene?
The InChIKey is YJTVJEQKZNHVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFS/c1-4(2)7-6(8)5(9)3-10-7/h3-4H,1-2H3.
What are the key properties of 3-chloro-4-fluoro-2-propan-2-ylthiophene?
3-chloro-4-fluoro-2-propan-2-ylthiophene has a molecular weight of 178.66 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-2-propan-2-ylthiophene is sourced from PubChem (CID 146392778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).