4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one

C10H6F3NOS — CID 43286788

IUPAC4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)7-4-2-1-3-6(7)8-5-16-9(15)14-8/h1-5H,(H,14,15)
InChIKeyHFWMMQIUVAIEDE-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.12
Rot. Bonds1

About 4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one

4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one (PubChem CID 43286788) has the molecular formula C10H6F3NOS and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one
PubChem CID43286788
Molecular FormulaC10H6F3NOS
Molecular Weight245.23 g/mol
Exact Mass245.01
IUPAC Name4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)7-4-2-1-3-6(7)8-5-16-9(15)14-8/h1-5H,(H,14,15)
InChIKeyHFWMMQIUVAIEDE-UHFFFAOYSA-N
XLogP3.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 106516768
4-(2-ethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286764
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
CID 20626317
6-[2-(trifluoromethyl)phenyl]-1H-pyridine-2-thione
CID 106516792
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 117222383
3-[2-(trifluoromethyl)phenyl]thiophen-2-amine
CID 117222528
6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091890
2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 117260743
3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 133092058
2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136692538

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one (CID 43286788) is 4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(-c2ccccc2C(F)(F)F)cs1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one?
The InChIKey is HFWMMQIUVAIEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NOS/c11-10(12,13)7-4-2-1-3-6(7)8-5-16-9(15)14-8/h1-5H,(H,14,15).
What are the key properties of 4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one?
4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one has a molecular weight of 245.23 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 43286788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).