1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone

C11H10ClF3O2 — CID 82304545

IUPAC1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c1-5-4-7(17-3)8(6(2)9(5)12)10(16)11(13,14)15/h4H,1-3H3
InChIKeyXRRBETKMNJBEMO-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.71
Rot. Bonds2

About 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone

1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone (PubChem CID 82304545) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone
PubChem CID82304545
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c1-5-4-7(17-3)8(6(2)9(5)12)10(16)11(13,14)15/h4H,1-3H3
InChIKeyXRRBETKMNJBEMO-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone (CID 82304545) is 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone is COc1cc(C)c(Cl)c(C)c1C(=O)C(F)(F)F.
What is the InChIKey of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone?
The InChIKey is XRRBETKMNJBEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c1-5-4-7(17-3)8(6(2)9(5)12)10(16)11(13,14)15/h4H,1-3H3.
What are the key properties of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone?
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone has a molecular weight of 266.65 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 82304545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).