2-(trifluoromethyl)-2,5-dihydrothiophene

C5H5F3S — CID 134857826

IUPAC2-(trifluoromethyl)-2,5-dihydrothiophene
SMILESFC(F)(F)C1C=CCS1
InChIInChI=1S/C5H5F3S/c6-5(7,8)4-2-1-3-9-4/h1-2,4H,3H2
InChIKeyRNSJYNJFCGFEDE-UHFFFAOYSA-N
MW154.16 g/mol
LogP2.22
Rot. Bonds

About 2-(trifluoromethyl)-2,5-dihydrothiophene

2-(trifluoromethyl)-2,5-dihydrothiophene (PubChem CID 134857826) has the molecular formula C5H5F3S and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,5-dihydrothiophene.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,5-dihydrothiophene
PubChem CID134857826
Molecular FormulaC5H5F3S
Molecular Weight154.16 g/mol
Exact Mass154.01
IUPAC Name2-(trifluoromethyl)-2,5-dihydrothiophene
SMILESFC(F)(F)C1C=CCS1
InChIInChI=1S/C5H5F3S/c6-5(7,8)4-2-1-3-9-4/h1-2,4H,3H2
InChIKeyRNSJYNJFCGFEDE-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(trifluoromethyl)-2,5-dihydrothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Trifluoromethyl)-2,3-dihydrothiophene
CID 123779355
Trifluoromethyl 4h thiopyran
CID 129814158
6-Fluoro-6-(trifluoromethyl)-2,5-dihydrothiopyran
CID 85973980
(E)-4,4,5,5,6,6,6-heptafluoro-1-methylsulfanylhex-2-ene
CID 87187640
4,4,5,5,6,6,6-Heptafluoro-1-methylsulfanylhex-2-ene
CID 91562919
5-(Trifluoromethylsulfanyl)cyclopenta-1,3-diene
CID 101472109
2-(trifluoromethyl)-2H-thiopyran
CID 149435134
2-Methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
CID 154541029
(Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene
CID 162587996

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2,5-dihydrothiophene?
The IUPAC name of 2-(trifluoromethyl)-2,5-dihydrothiophene (CID 134857826) is 2-(trifluoromethyl)-2,5-dihydrothiophene.
What is the SMILES notation for 2-(trifluoromethyl)-2,5-dihydrothiophene?
The canonical SMILES for 2-(trifluoromethyl)-2,5-dihydrothiophene is FC(F)(F)C1C=CCS1.
What is the InChIKey of 2-(trifluoromethyl)-2,5-dihydrothiophene?
The InChIKey is RNSJYNJFCGFEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3S/c6-5(7,8)4-2-1-3-9-4/h1-2,4H,3H2.
What are the key properties of 2-(trifluoromethyl)-2,5-dihydrothiophene?
2-(trifluoromethyl)-2,5-dihydrothiophene has a molecular weight of 154.16 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,5-dihydrothiophene is sourced from PubChem (CID 134857826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).