2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole

C4H4F3NS — CID 19974214

IUPAC2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole
SMILESFC(F)(F)C1NC=CS1
InChIInChI=1S/C4H4F3NS/c5-4(6,7)3-8-1-2-9-3/h1-3,8H
InChIKeyRFHFDESRTLEUFV-UHFFFAOYSA-N
MW155.14 g/mol
LogP1.68
Rot. Bonds

About 2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole

2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole (PubChem CID 19974214) has the molecular formula C4H4F3NS and a molecular weight of 155.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole
PubChem CID19974214
Molecular FormulaC4H4F3NS
Molecular Weight155.14 g/mol
Exact Mass155.00
IUPAC Name2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole
SMILESFC(F)(F)C1NC=CS1
InChIInChI=1S/C4H4F3NS/c5-4(6,7)3-8-1-2-9-3/h1-3,8H
InChIKeyRFHFDESRTLEUFV-UHFFFAOYSA-N
XLogP1.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.14
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole (CID 19974214) is 2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole is FC(F)(F)C1NC=CS1.
What is the InChIKey of 2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole?
The InChIKey is RFHFDESRTLEUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NS/c5-4(6,7)3-8-1-2-9-3/h1-3,8H.
What are the key properties of 2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole?
2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole has a molecular weight of 155.14 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 19974214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).