formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole

C6H5ClF3NOS — CID 174684788

IUPACformyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)cs1.O=CCl
InChIInChI=1S/C5H4F3NS.CHClO/c1-3-9-4(2-10-3)5(6,7)8;2-1-3/h2H,1H3;1H
InChIKeyHEFAEBRDZNYMEE-UHFFFAOYSA-N
MW231.63 g/mol
LogP2.89
Rot. Bonds

About formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole

formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 174684788) has the molecular formula C6H5ClF3NOS and a molecular weight of 231.63 g/mol. Its IUPAC name is formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Nameformyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID174684788
Molecular FormulaC6H5ClF3NOS
Molecular Weight231.63 g/mol
Exact Mass230.97
IUPAC Nameformyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)cs1.O=CCl
InChIInChI=1S/C5H4F3NS.CHClO/c1-3-9-4(2-10-3)5(6,7)8;2-1-3/h2H,1H3;1H
InChIKeyHEFAEBRDZNYMEE-UHFFFAOYSA-N
XLogP2.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4-(trifluoromethyl)-1,3-thiazole
CID 17803785
2-(Chloromethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 62921994
2-Methyl-4-(trifluoromethyl)-1,3-thiazole
CID 15717201
2-(Difluoromethoxy)-4-methyl-1,3-thiazole
CID 20719786
O-ethyl [(S)-chloro-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]sulfanylmethanethioate
CID 22817069
2-Ethyl-4-(trifluoromethyl)thiazole
CID 23533397
4-(Difluoromethyl)-2-methyl-thiazole
CID 53874264
Thiazole, 4-[(methylthio)methyl]-2-(trifluoromethyl)-
CID 58088366
4-Methyl-2-(trifluoromethyl)thiazole
CID 59259281
CID 59497988
CID 59497988
2-Methoxy-4-(trifluoromethyl)-1,3-thiazole
CID 59710653
CID 59758915
CID 59758915

Frequently Asked Questions

What is the IUPAC name of formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole (CID 174684788) is formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)cs1.O=CCl.
What is the InChIKey of formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is HEFAEBRDZNYMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NS.CHClO/c1-3-9-4(2-10-3)5(6,7)8;2-1-3/h2H,1H3;1H.
What are the key properties of formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole?
formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 231.63 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 174684788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).