diphenylmethanamine;2,2,2-trifluoroacetic acid

C15H14F3NO2 — CID 71505318

IUPACdiphenylmethanamine;2,2,2-trifluoroacetic acid
SMILESNC(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H13N.C2HF3O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-2(4,5)1(6)7/h1-10,13H,14H2;(H,6,7)
InChIKeyUDHCIVKGUHNVGN-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.37
Rot. Bonds2

About diphenylmethanamine;2,2,2-trifluoroacetic acid

diphenylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 71505318) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is diphenylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namediphenylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID71505318
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Namediphenylmethanamine;2,2,2-trifluoroacetic acid
SMILESNC(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H13N.C2HF3O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-2(4,5)1(6)7/h1-10,13H,14H2;(H,6,7)
InChIKeyUDHCIVKGUHNVGN-UHFFFAOYSA-N
XLogP3.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-alpha-(4-fluorophenyl)benzenemethanamine
CID 10955039
N-(Diphenylmethyl)glycine
CID 218512
Dibenzylammonium trifluoroacetate
CID 11001428
Glycine, N-((4-fluorophenyl)phenylmethyl)-
CID 3054402
Benzenemethanamine, alpha-phenyl-, 2-propylpentanoate
CID 3075108
N',N'-dibenzylbutane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 49796800
(Z)-but-2-enedioic acid;1-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine
CID 90675026
N-benzylprop-2-en-1-amine;2,2,2-trifluoroacetic acid
CID 145948158
2-Phenylethylazanium;2,2,2-trifluoroacetate
CID 10911507
Benzylammonium acetate
CID 11469290
Benzylazanium;2,2,2-trifluoroacetate
CID 17825528
1-Phenylethylazanium;2,2,2-trifluoroacetate
CID 71673357

Frequently Asked Questions

What is the IUPAC name of diphenylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of diphenylmethanamine;2,2,2-trifluoroacetic acid (CID 71505318) is diphenylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for diphenylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for diphenylmethanamine;2,2,2-trifluoroacetic acid is NC(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of diphenylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is UDHCIVKGUHNVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C2HF3O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-2(4,5)1(6)7/h1-10,13H,14H2;(H,6,7).
What are the key properties of diphenylmethanamine;2,2,2-trifluoroacetic acid?
diphenylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 297.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71505318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).