3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one

C7H8F3NOS — CID 130618967

IUPAC3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one
SMILESCC(Cn1ccsc1=O)C(F)(F)F
InChIInChI=1S/C7H8F3NOS/c1-5(7(8,9)10)4-11-2-3-13-6(11)12/h2-3,5H,4H2,1H3
InChIKeyWNSBBGOEPQUAPD-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.11
Rot. Bonds2

About 3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one

3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one (PubChem CID 130618967) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one
PubChem CID130618967
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one
SMILESCC(Cn1ccsc1=O)C(F)(F)F
InChIInChI=1S/C7H8F3NOS/c1-5(7(8,9)10)4-11-2-3-13-6(11)12/h2-3,5H,4H2,1H3
InChIKeyWNSBBGOEPQUAPD-UHFFFAOYSA-N
XLogP2.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-Trifluoro-2-[(2-oxo-1,3-thiazol-3-yl)methyl]propanenitrile
CID 103368140
3-(2,2,2-Trifluoroethyl)-1,3-thiazol-2-one
CID 115659231
3-(3,3,3-Trifluoropropyl)-1,3-thiazol-2-one
CID 115672986
3-(3-Fluoropropyl)-1,3-thiazol-2-one
CID 115706050
3-(2,2-Difluoroethyl)-1,3-thiazol-2-one
CID 115749768
3-(4,4,4-Trifluorobutyl)-1,3-thiazol-2-one
CID 116622657
3-(2-Fluorobutyl)-1,3-thiazol-2-one
CID 126994849
3-Propyl-1,3-thiazol-2-one
CID 13828888
3-(2-Methyl-3-sulfanylpropyl)-1,3-thiazol-2-one
CID 80031106
3-(3-Methylbutyl)-1,3-thiazol-2-one
CID 115646869
3-(2-Methylpropyl)-1,3-thiazol-2-one
CID 115659278
3-(2-Methylbutyl)-1,3-thiazol-2-one
CID 115706048

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one (CID 130618967) is 3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one is CC(Cn1ccsc1=O)C(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one?
The InChIKey is WNSBBGOEPQUAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c1-5(7(8,9)10)4-11-2-3-13-6(11)12/h2-3,5H,4H2,1H3.
What are the key properties of 3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one?
3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one has a molecular weight of 211.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 130618967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).