2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride

C9H4Cl3F3O — CID 15682130

IUPAC2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride
SMILESO=C(Cl)Cc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H4Cl3F3O/c10-6-1-4(9(13,14)15)2-7(11)5(6)3-8(12)16/h1-2H,3H2
InChIKeyRPUMNYVHFWKBKJ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.32
Rot. Bonds2

About 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride (PubChem CID 15682130) has the molecular formula C9H4Cl3F3O and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride
PubChem CID15682130
Molecular FormulaC9H4Cl3F3O
Molecular Weight291.48 g/mol
Exact Mass289.93
IUPAC Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride
SMILESO=C(Cl)Cc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H4Cl3F3O/c10-6-1-4(9(13,14)15)2-7(11)5(6)3-8(12)16/h1-2H,3H2
InChIKeyRPUMNYVHFWKBKJ-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride?
The IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride (CID 15682130) is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride.
What is the SMILES notation for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride?
The canonical SMILES for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride is O=C(Cl)Cc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride?
The InChIKey is RPUMNYVHFWKBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3F3O/c10-6-1-4(9(13,14)15)2-7(11)5(6)3-8(12)16/h1-2H,3H2.
What are the key properties of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride?
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride has a molecular weight of 291.48 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetyl chloride is sourced from PubChem (CID 15682130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).