5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one

C9H10F3NOS — CID 64565724

IUPAC5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
SMILESCc1nc(CC(=O)CCC(F)(F)F)cs1
InChIInChI=1S/C9H10F3NOS/c1-6-13-7(5-15-6)4-8(14)2-3-9(10,11)12/h5H,2-4H2,1H3
InChIKeyRFJCONJKKRVDHV-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.91
Rot. Bonds4

About 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one

5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one (PubChem CID 64565724) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
PubChem CID64565724
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
SMILESCc1nc(CC(=O)CCC(F)(F)F)cs1
InChIInChI=1S/C9H10F3NOS/c1-6-13-7(5-15-6)4-8(14)2-3-9(10,11)12/h5H,2-4H2,1H3
InChIKeyRFJCONJKKRVDHV-UHFFFAOYSA-N
XLogP2.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one (CID 64565724) is 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one is Cc1nc(CC(=O)CCC(F)(F)F)cs1.
What is the InChIKey of 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one?
The InChIKey is RFJCONJKKRVDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-6-13-7(5-15-6)4-8(14)2-3-9(10,11)12/h5H,2-4H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one?
5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one has a molecular weight of 237.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one is sourced from PubChem (CID 64565724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).