2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C6HClF5NOS — CID 106782627

IUPAC2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C(F)(F)Cl
InChIInChI=1S/C6HClF5NOS/c7-5(8,9)3(14)2-1-13-4(15-2)6(10,11)12/h1H
InChIKeyMPVYKCKEICYQSL-UHFFFAOYSA-N
MW265.59 g/mol
LogP3.18
Rot. Bonds2

About 2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 106782627) has the molecular formula C6HClF5NOS and a molecular weight of 265.59 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID106782627
Molecular FormulaC6HClF5NOS
Molecular Weight265.59 g/mol
Exact Mass264.94
IUPAC Name2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C(F)(F)Cl
InChIInChI=1S/C6HClF5NOS/c7-5(8,9)3(14)2-1-13-4(15-2)6(10,11)12/h1H
InChIKeyMPVYKCKEICYQSL-UHFFFAOYSA-N
XLogP3.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.59
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-one
CID 20815186
Ethanone, 2-chloro-1-(2-chloro-5-thiazolyl)-
CID 53407596
1-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroethan-1-one
CID 165972733
2-(Trifluoromethyl)-1,3-thiazole-5-carbonyl chloride
CID 53840427
2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 62652804
Ethanone, 1-(2-bromo-5-thiazolyl)-2,2,2-trifluoro-
CID 67324338
2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 69192063
1-[2-(Fluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 69675720
1-(2-(Trifluoromethyl)thiazol-5-yl)ethanone
CID 72214632
2,2-Difluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 87864891
2-(Trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride
CID 156524757

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 106782627) is 2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is O=C(c1cnc(C(F)(F)F)s1)C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is MPVYKCKEICYQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HClF5NOS/c7-5(8,9)3(14)2-1-13-4(15-2)6(10,11)12/h1H.
What are the key properties of 2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 265.59 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 106782627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).