2-(3-fluorobutyl)thiirene

C6H9FS — CID 163428591

IUPAC2-(3-fluorobutyl)thiirene
SMILESCC(F)CCC1=CS1
InChIInChI=1S/C6H9FS/c1-5(7)2-3-6-4-8-6/h4-5H,2-3H2,1H3
InChIKeyAOOXMULPSSTWJD-UHFFFAOYSA-N
MW132.20 g/mol
LogP2.71
Rot. Bonds3

About 2-(3-fluorobutyl)thiirene

2-(3-fluorobutyl)thiirene (PubChem CID 163428591) has the molecular formula C6H9FS and a molecular weight of 132.20 g/mol. Its IUPAC name is 2-(3-fluorobutyl)thiirene.

Molecular Properties

Compound Name2-(3-fluorobutyl)thiirene
PubChem CID163428591
Molecular FormulaC6H9FS
Molecular Weight132.20 g/mol
Exact Mass132.04
IUPAC Name2-(3-fluorobutyl)thiirene
SMILESCC(F)CCC1=CS1
InChIInChI=1S/C6H9FS/c1-5(7)2-3-6-4-8-6/h4-5H,2-3H2,1H3
InChIKeyAOOXMULPSSTWJD-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Fluoro-2,4-dimethyl-2,3-dihydrothiophene
CID 89339542
6-fluoro-2-methyl-3,4-dihydro-2H-thiopyran
CID 132198732
2-Fluoro-4-methylsulfanylbut-1-ene
CID 140354130
6,6-Difluoro-2-methylsulfanylhex-1-ene
CID 140879599
2-Methylsulfanylhex-1-ene
CID 11137197
2-Butylthiirene
CID 139932212
2-Propylthiirene
CID 140017901

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorobutyl)thiirene?
The IUPAC name of 2-(3-fluorobutyl)thiirene (CID 163428591) is 2-(3-fluorobutyl)thiirene.
What is the SMILES notation for 2-(3-fluorobutyl)thiirene?
The canonical SMILES for 2-(3-fluorobutyl)thiirene is CC(F)CCC1=CS1.
What is the InChIKey of 2-(3-fluorobutyl)thiirene?
The InChIKey is AOOXMULPSSTWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FS/c1-5(7)2-3-6-4-8-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-(3-fluorobutyl)thiirene?
2-(3-fluorobutyl)thiirene has a molecular weight of 132.20 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorobutyl)thiirene is sourced from PubChem (CID 163428591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).