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

C8H8F3NOS — CID 115516001

IUPAC5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one
SMILESO=C(CCCC(F)(F)F)c1cscn1
InChIInChI=1S/C8H8F3NOS/c9-8(10,11)3-1-2-7(13)6-4-14-5-12-6/h4-5H,1-3H2
InChIKeyWSFVFMQONXMRLI-UHFFFAOYSA-N
MW223.22 g/mol
LogP3.06
Rot. Bonds4

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

5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one (PubChem CID 115516001) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one
PubChem CID115516001
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one
SMILESO=C(CCCC(F)(F)F)c1cscn1
InChIInChI=1S/C8H8F3NOS/c9-8(10,11)3-1-2-7(13)6-4-14-5-12-6/h4-5H,1-3H2
InChIKeyWSFVFMQONXMRLI-UHFFFAOYSA-N
XLogP3.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-Thiazol-4-yl)propan-1-one
CID 15050021
1-(4-Thiazolyl)-3-cyano-1-propanone
CID 131767
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-4-yl]butan-1-one
CID 70665471
1-(2-Fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one
CID 138579041
4,4,4-Trifluoro-1-(1,3-thiazol-4-yl)butan-1-one
CID 80490766
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 105106853
5,5,5-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one
CID 105123358
2-Amino-4,4,4-trifluoro-1-(1,3-thiazol-4-yl)butan-1-one
CID 112485141
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butane-1,3-dione
CID 116202050
4,4-Difluoro-1-(2-methyl-1,3-thiazol-4-yl)butane-1,3-dione
CID 116202054
4,4,4-Trifluoro-1-(1,3-thiazol-4-yl)butane-1,3-dione
CID 116202085
4,4-Difluoro-1-(1,3-thiazol-4-yl)butane-1,3-dione
CID 116202089

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one?
The IUPAC name of 5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one (CID 115516001) is 5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one is O=C(CCCC(F)(F)F)c1cscn1.
What is the InChIKey of 5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one?
The InChIKey is WSFVFMQONXMRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c9-8(10,11)3-1-2-7(13)6-4-14-5-12-6/h4-5H,1-3H2.
What are the key properties of 5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one?
5,5,5-trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one has a molecular weight of 223.22 g/mol, XLogP of 3.06, 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-(1,3-thiazol-4-yl)pentan-1-one is sourced from PubChem (CID 115516001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).