(2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate

C8H6Cl2F3NO2 — CID 142237760

IUPAC(2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]c1cccc(Cl)c1Cl
InChIInChI=1S/C6H5Cl2N.C2HF3O2/c7-4-2-1-3-5(9)6(4)8;3-2(4,5)1(6)7/h1-3H,9H2;(H,6,7)
InChIKeyDYCTWLABZUSVDE-UHFFFAOYSA-N
MW276.04 g/mol
LogP1.17
Rot. Bonds

About (2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate

(2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate (PubChem CID 142237760) has the molecular formula C8H6Cl2F3NO2 and a molecular weight of 276.04 g/mol. Its IUPAC name is (2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate
PubChem CID142237760
Molecular FormulaC8H6Cl2F3NO2
Molecular Weight276.04 g/mol
Exact Mass274.97
IUPAC Name(2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]c1cccc(Cl)c1Cl
InChIInChI=1S/C6H5Cl2N.C2HF3O2/c7-4-2-1-3-5(9)6(4)8;3-2(4,5)1(6)7/h1-3H,9H2;(H,6,7)
InChIKeyDYCTWLABZUSVDE-UHFFFAOYSA-N
XLogP1.17
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.04
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate?
The IUPAC name of (2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate (CID 142237760) is (2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for (2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate?
The canonical SMILES for (2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH3+]c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate?
The InChIKey is DYCTWLABZUSVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N.C2HF3O2/c7-4-2-1-3-5(9)6(4)8;3-2(4,5)1(6)7/h1-3H,9H2;(H,6,7).
What are the key properties of (2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate?
(2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate has a molecular weight of 276.04 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 142237760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).