1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one

C11H10Cl2F3NO2 — CID 70485951

IUPAC1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C(=O)c1c(N)ccc(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C11H10Cl2F3NO2/c1-10(19-2,11(14,15)16)9(18)7-6(17)4-3-5(12)8(7)13/h3-4H,17H2,1-2H3
InChIKeyOCVXLHZYDVFQRU-UHFFFAOYSA-N
MW316.11 g/mol
LogP3.73
Rot. Bonds3

About 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one

1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one (PubChem CID 70485951) has the molecular formula C11H10Cl2F3NO2 and a molecular weight of 316.11 g/mol. Its IUPAC name is 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one
PubChem CID70485951
Molecular FormulaC11H10Cl2F3NO2
Molecular Weight316.11 g/mol
Exact Mass315.00
IUPAC Name1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C(=O)c1c(N)ccc(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C11H10Cl2F3NO2/c1-10(19-2,11(14,15)16)9(18)7-6(17)4-3-5(12)8(7)13/h3-4H,17H2,1-2H3
InChIKeyOCVXLHZYDVFQRU-UHFFFAOYSA-N
XLogP3.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one (CID 70485951) is 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one is COC(C)(C(=O)c1c(N)ccc(Cl)c1Cl)C(F)(F)F.
What is the InChIKey of 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one?
The InChIKey is OCVXLHZYDVFQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3NO2/c1-10(19-2,11(14,15)16)9(18)7-6(17)4-3-5(12)8(7)13/h3-4H,17H2,1-2H3.
What are the key properties of 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one?
1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one has a molecular weight of 316.11 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 70485951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).