azane;2,2,2-trichloroacetyl chloride

C2H3Cl4NO — CID 174960688

IUPACazane;2,2,2-trichloroacetyl chloride
SMILESN.O=C(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C2Cl4O.H3N/c3-1(7)2(4,5)6;/h;1H3
InChIKeyAXFARXJWFAKLPU-UHFFFAOYSA-N
MW198.86 g/mol
LogP2.28
Rot. Bonds

About azane;2,2,2-trichloroacetyl chloride

azane;2,2,2-trichloroacetyl chloride (PubChem CID 174960688) has the molecular formula C2H3Cl4NO and a molecular weight of 198.86 g/mol. Its IUPAC name is azane;2,2,2-trichloroacetyl chloride.

Molecular Properties

Compound Nameazane;2,2,2-trichloroacetyl chloride
PubChem CID174960688
Molecular FormulaC2H3Cl4NO
Molecular Weight198.86 g/mol
Exact Mass196.90
IUPAC Nameazane;2,2,2-trichloroacetyl chloride
SMILESN.O=C(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C2Cl4O.H3N/c3-1(7)2(4,5)6;/h;1H3
InChIKeyAXFARXJWFAKLPU-UHFFFAOYSA-N
XLogP2.28
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.86
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-tribromoacetyl chloride
CID 599146
2,2,2-trichloroacetamide
CID 71309866
4,4-dichloro-3-(trichloromethyl)but-3-en-2-one
CID 119096900
silver 2,2,2-trichloroacetate
CID 22311595
strontium bis(2,2,2-trichloroacetate)
CID 161000929
dilithium;hydride;2,2,2-trichloroacetic acid
CID 175045504
europium(3+);tris(2,2,2-trichloroacetate)
CID 15799698
gallium tris(2,2,2-trichloroacetate)
CID 22604629
2-chloropropan-2-yl carbonochloridate
CID 54538343
2,2,5,5,5-pentachloropentanoyl chloride
CID 171063217
3-chloro-2,3-dimethyl-2-silylbutanoyl chloride
CID 154481227
CID 175730085
CID 175730085

Frequently Asked Questions

What is the IUPAC name of azane;2,2,2-trichloroacetyl chloride?
The IUPAC name of azane;2,2,2-trichloroacetyl chloride (CID 174960688) is azane;2,2,2-trichloroacetyl chloride.
What is the SMILES notation for azane;2,2,2-trichloroacetyl chloride?
The canonical SMILES for azane;2,2,2-trichloroacetyl chloride is N.O=C(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of azane;2,2,2-trichloroacetyl chloride?
The InChIKey is AXFARXJWFAKLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl4O.H3N/c3-1(7)2(4,5)6;/h;1H3.
What are the key properties of azane;2,2,2-trichloroacetyl chloride?
azane;2,2,2-trichloroacetyl chloride has a molecular weight of 198.86 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2,2-trichloroacetyl chloride is sourced from PubChem (CID 174960688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).