2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride

C5HF4NOS — CID 156524757

IUPAC2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride
SMILESO=C(F)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C5HF4NOS/c6-3(11)2-1-10-4(12-2)5(7,8)9/h1H
InChIKeyISCABDAKNCMTGA-UHFFFAOYSA-N
MW199.13 g/mol
LogP2.27
Rot. Bonds1

About 2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride

2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride (PubChem CID 156524757) has the molecular formula C5HF4NOS and a molecular weight of 199.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride
PubChem CID156524757
Molecular FormulaC5HF4NOS
Molecular Weight199.13 g/mol
Exact Mass198.97
IUPAC Name2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride
SMILESO=C(F)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C5HF4NOS/c6-3(11)2-1-10-4(12-2)5(7,8)9/h1H
InChIKeyISCABDAKNCMTGA-UHFFFAOYSA-N
XLogP2.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride?
The IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride (CID 156524757) is 2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride?
The canonical SMILES for 2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride is O=C(F)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride?
The InChIKey is ISCABDAKNCMTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF4NOS/c6-3(11)2-1-10-4(12-2)5(7,8)9/h1H.
What are the key properties of 2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride?
2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride has a molecular weight of 199.13 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-thiazole-5-carbonyl fluoride is sourced from PubChem (CID 156524757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).