benzhydrylazanide;2,2,2-trifluoroacetic acid

C15H13F3NO2- — CID 158297554

IUPACbenzhydrylazanide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[NH-]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N.C2HF3O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-2(4,5)1(6)7/h1-10,13-14H;(H,6,7)/q-1;
InChIKeyGMCCBOGWWCVCMG-UHFFFAOYSA-N
MW296.27 g/mol
LogP4.46
Rot. Bonds2

About benzhydrylazanide;2,2,2-trifluoroacetic acid

benzhydrylazanide;2,2,2-trifluoroacetic acid (PubChem CID 158297554) has the molecular formula C15H13F3NO2- and a molecular weight of 296.27 g/mol. Its IUPAC name is benzhydrylazanide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namebenzhydrylazanide;2,2,2-trifluoroacetic acid
PubChem CID158297554
Molecular FormulaC15H13F3NO2-
Molecular Weight296.27 g/mol
Exact Mass296.09
IUPAC Namebenzhydrylazanide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[NH-]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N.C2HF3O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-2(4,5)1(6)7/h1-10,13-14H;(H,6,7)/q-1;
InChIKeyGMCCBOGWWCVCMG-UHFFFAOYSA-N
XLogP4.46
TPSA61.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N',N'-dibenzylbutane-1,4-diamine;2,2,2-trifluoroacetic acid
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Benzylammonium acetate
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Frequently Asked Questions

What is the IUPAC name of benzhydrylazanide;2,2,2-trifluoroacetic acid?
The IUPAC name of benzhydrylazanide;2,2,2-trifluoroacetic acid (CID 158297554) is benzhydrylazanide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for benzhydrylazanide;2,2,2-trifluoroacetic acid?
The canonical SMILES for benzhydrylazanide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[NH-]C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydrylazanide;2,2,2-trifluoroacetic acid?
The InChIKey is GMCCBOGWWCVCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N.C2HF3O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-2(4,5)1(6)7/h1-10,13-14H;(H,6,7)/q-1;.
What are the key properties of benzhydrylazanide;2,2,2-trifluoroacetic acid?
benzhydrylazanide;2,2,2-trifluoroacetic acid has a molecular weight of 296.27 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylazanide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158297554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).