2-(trifluoromethyl)-2,3-dihydrothiophene

C5H5F3S — CID 18975125

IUPAC2-(trifluoromethyl)-2,3-dihydrothiophene
SMILESFC(F)(F)C1CC=CS1
InChIInChI=1S/C5H5F3S/c6-5(7,8)4-2-1-3-9-4/h1,3-4H,2H2
InChIKeyPCIKEGJFWCYIPQ-UHFFFAOYSA-N
MW154.16 g/mol
LogP2.57
Rot. Bonds

About 2-(trifluoromethyl)-2,3-dihydrothiophene

2-(trifluoromethyl)-2,3-dihydrothiophene (PubChem CID 18975125) has the molecular formula C5H5F3S and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,3-dihydrothiophene
PubChem CID18975125
Molecular FormulaC5H5F3S
Molecular Weight154.16 g/mol
Exact Mass154.01
IUPAC Name2-(trifluoromethyl)-2,3-dihydrothiophene
SMILESFC(F)(F)C1CC=CS1
InChIInChI=1S/C5H5F3S/c6-5(7,8)4-2-1-3-9-4/h1,3-4H,2H2
InChIKeyPCIKEGJFWCYIPQ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(trifluoromethyl)-2,3-dihydrothiophene (CID 18975125) is 2-(trifluoromethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(trifluoromethyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(trifluoromethyl)-2,3-dihydrothiophene is FC(F)(F)C1CC=CS1.
What is the InChIKey of 2-(trifluoromethyl)-2,3-dihydrothiophene?
The InChIKey is PCIKEGJFWCYIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3S/c6-5(7,8)4-2-1-3-9-4/h1,3-4H,2H2.
What are the key properties of 2-(trifluoromethyl)-2,3-dihydrothiophene?
2-(trifluoromethyl)-2,3-dihydrothiophene has a molecular weight of 154.16 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 18975125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).