5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene

C6H5F3S — CID 101472109

IUPAC5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene
SMILESFC(F)(F)SC1C=CC=C1
InChIInChI=1S/C6H5F3S/c7-6(8,9)10-5-3-1-2-4-5/h1-5H
InChIKeyICOAKVLUYRGSFV-UHFFFAOYSA-N
MW166.17 g/mol
LogP2.73
Rot. Bonds1

About 5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene

5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene (PubChem CID 101472109) has the molecular formula C6H5F3S and a molecular weight of 166.17 g/mol. Its IUPAC name is 5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene
PubChem CID101472109
Molecular FormulaC6H5F3S
Molecular Weight166.17 g/mol
Exact Mass166.01
IUPAC Name5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene
SMILESFC(F)(F)SC1C=CC=C1
InChIInChI=1S/C6H5F3S/c7-6(8,9)10-5-3-1-2-4-5/h1-5H
InChIKeyICOAKVLUYRGSFV-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene (CID 101472109) is 5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene is FC(F)(F)SC1C=CC=C1.
What is the InChIKey of 5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene?
The InChIKey is ICOAKVLUYRGSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3S/c7-6(8,9)10-5-3-1-2-4-5/h1-5H.
What are the key properties of 5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene?
5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene has a molecular weight of 166.17 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethylsulfanyl)cyclopenta-1,3-diene is sourced from PubChem (CID 101472109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).