1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one

C7H6F3NOS — CID 66466316

IUPAC1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)C(F)(F)F)n1
InChIInChI=1S/C7H6F3NOS/c1-4-3-13-6(11-4)2-5(12)7(8,9)10/h3H,2H2,1H3
InChIKeyNHNAHYIUGDGHFS-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.13
Rot. Bonds2

About 1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one

1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 66466316) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
PubChem CID66466316
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)C(F)(F)F)n1
InChIInChI=1S/C7H6F3NOS/c1-4-3-13-6(11-4)2-5(12)7(8,9)10/h3H,2H2,1H3
InChIKeyNHNAHYIUGDGHFS-UHFFFAOYSA-N
XLogP2.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetyl-4-methylthiazole
CID 5324797
1-(4-Methyl-1,3-thiazol-2-yl)propan-1-one
CID 20560352
2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one
CID 22106690
1-(4-Methyl-1,3-thiazol-2-yl)propan-2-one
CID 17930988
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-one
CID 53402794
2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol
CID 119082012
Sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 50987248
Potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 75480791
2-Ethyl-4-(trifluoromethyl)thiazole
CID 23533397
4-(Difluoromethyl)-2-methyl-thiazole
CID 53874264
4-Methyl-2-(trifluoromethyl)thiazole
CID 59259281
2-[4-(Fluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 67484175

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (CID 66466316) is 1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is Cc1csc(CC(=O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is NHNAHYIUGDGHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c1-4-3-13-6(11-4)2-5(12)7(8,9)10/h3H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 209.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 66466316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).