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

C10H8Cl2F3NO2 — CID 70484861

IUPAC1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESCC(O)(C(=O)c1c(N)ccc(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C10H8Cl2F3NO2/c1-9(18,10(13,14)15)8(17)6-5(16)3-2-4(11)7(6)12/h2-3,18H,16H2,1H3
InChIKeyPXRMNBNJVYYTAT-UHFFFAOYSA-N
MW302.08 g/mol
LogP3.07
Rot. Bonds2

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

1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (PubChem CID 70484861) has the molecular formula C10H8Cl2F3NO2 and a molecular weight of 302.08 g/mol. Its IUPAC name is 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
PubChem CID70484861
Molecular FormulaC10H8Cl2F3NO2
Molecular Weight302.08 g/mol
Exact Mass300.99
IUPAC Name1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESCC(O)(C(=O)c1c(N)ccc(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C10H8Cl2F3NO2/c1-9(18,10(13,14)15)8(17)6-5(16)3-2-4(11)7(6)12/h2-3,18H,16H2,1H3
InChIKeyPXRMNBNJVYYTAT-UHFFFAOYSA-N
XLogP3.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.08
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 11472257
CID 11472257
CID 70485951
CID 70485951
CID 174219273
CID 174219273
CID 10848774
CID 10848774
CID 174219274
CID 174219274
CID 21473951
CID 21473951
CID 67413435
CID 67413435
CID 130018789
CID 130018789

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (CID 70484861) is 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is CC(O)(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-hydroxy-2-methylpropan-1-one?
The InChIKey is PXRMNBNJVYYTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F3NO2/c1-9(18,10(13,14)15)8(17)6-5(16)3-2-4(11)7(6)12/h2-3,18H,16H2,1H3.
What are the key properties of 1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
1-(6-amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one has a molecular weight of 302.08 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 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-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 70484861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).