2-fluoro-5-propan-2-yl-2,3-dihydrothiophene

C7H11FS — CID 126565366

IUPAC2-fluoro-5-propan-2-yl-2,3-dihydrothiophene
SMILESCC(C)C1=CCC(F)S1
InChIInChI=1S/C7H11FS/c1-5(2)6-3-4-7(8)9-6/h3,5,7H,4H2,1-2H3
InChIKeyWKNZOKSEFLBCKA-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.96
Rot. Bonds1

About 2-fluoro-5-propan-2-yl-2,3-dihydrothiophene

2-fluoro-5-propan-2-yl-2,3-dihydrothiophene (PubChem CID 126565366) has the molecular formula C7H11FS and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-fluoro-5-propan-2-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-fluoro-5-propan-2-yl-2,3-dihydrothiophene
PubChem CID126565366
Molecular FormulaC7H11FS
Molecular Weight146.23 g/mol
Exact Mass146.06
IUPAC Name2-fluoro-5-propan-2-yl-2,3-dihydrothiophene
SMILESCC(C)C1=CCC(F)S1
InChIInChI=1S/C7H11FS/c1-5(2)6-3-4-7(8)9-6/h3,5,7H,4H2,1-2H3
InChIKeyWKNZOKSEFLBCKA-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-propan-2-yl-2,3-dihydrothiophene?
The IUPAC name of 2-fluoro-5-propan-2-yl-2,3-dihydrothiophene (CID 126565366) is 2-fluoro-5-propan-2-yl-2,3-dihydrothiophene.
What is the SMILES notation for 2-fluoro-5-propan-2-yl-2,3-dihydrothiophene?
The canonical SMILES for 2-fluoro-5-propan-2-yl-2,3-dihydrothiophene is CC(C)C1=CCC(F)S1.
What is the InChIKey of 2-fluoro-5-propan-2-yl-2,3-dihydrothiophene?
The InChIKey is WKNZOKSEFLBCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FS/c1-5(2)6-3-4-7(8)9-6/h3,5,7H,4H2,1-2H3.
What are the key properties of 2-fluoro-5-propan-2-yl-2,3-dihydrothiophene?
2-fluoro-5-propan-2-yl-2,3-dihydrothiophene has a molecular weight of 146.23 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-propan-2-yl-2,3-dihydrothiophene is sourced from PubChem (CID 126565366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).