2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride

C9H5Cl2F3O2 — CID 87204041

IUPAC2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride
SMILESO=C(Cl)C(Cl)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H5Cl2F3O2/c10-7(8(11)15)5-2-1-3-6(4-5)16-9(12,13)14/h1-4,7H
InChIKeyFSOXKVLBHGVFIJ-UHFFFAOYSA-N
MW273.04 g/mol
LogP3.63
Rot. Bonds3

About 2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride

2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride (PubChem CID 87204041) has the molecular formula C9H5Cl2F3O2 and a molecular weight of 273.04 g/mol. Its IUPAC name is 2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride.

Molecular Properties

Compound Name2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride
PubChem CID87204041
Molecular FormulaC9H5Cl2F3O2
Molecular Weight273.04 g/mol
Exact Mass271.96
IUPAC Name2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride
SMILESO=C(Cl)C(Cl)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H5Cl2F3O2/c10-7(8(11)15)5-2-1-3-6(4-5)16-9(12,13)14/h1-4,7H
InChIKeyFSOXKVLBHGVFIJ-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.04
LogP ≤ 53.63
H-Bond Donors ≤ 50
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-chloro-1-pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 107105192
2-chloro-2-(3-methoxyphenyl)acetyl chloride
CID 14169390
2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 107105193
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
3-chloro-1-[3-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171862621
3,4-dihydroxy-4-[3-(trifluoromethoxy)phenyl]butanoic acid
CID 171878263
4-chloro-1-[3-(trifluoromethoxy)phenyl]butane-1,2-diol
CID 171894388
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride?
The IUPAC name of 2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride (CID 87204041) is 2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride.
What is the SMILES notation for 2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride?
The canonical SMILES for 2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride is O=C(Cl)C(Cl)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride?
The InChIKey is FSOXKVLBHGVFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3O2/c10-7(8(11)15)5-2-1-3-6(4-5)16-9(12,13)14/h1-4,7H.
What are the key properties of 2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride?
2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride has a molecular weight of 273.04 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride is sourced from PubChem (CID 87204041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).