phenyl-(2,4,6-trifluorophenyl)methanamine

C13H10F3N — CID 43198681

IUPACphenyl-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1ccccc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H10F3N/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,13H,17H2
InChIKeyMVGGLKJSDBRFFK-UHFFFAOYSA-N
MW237.22 g/mol
LogP3.15
Rot. Bonds2

About phenyl-(2,4,6-trifluorophenyl)methanamine

phenyl-(2,4,6-trifluorophenyl)methanamine (PubChem CID 43198681) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is phenyl-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Namephenyl-(2,4,6-trifluorophenyl)methanamine
PubChem CID43198681
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Namephenyl-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1ccccc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H10F3N/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,13H,17H2
InChIKeyMVGGLKJSDBRFFK-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of phenyl-(2,4,6-trifluorophenyl)methanamine (CID 43198681) is phenyl-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for phenyl-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for phenyl-(2,4,6-trifluorophenyl)methanamine is NC(c1ccccc1)c1c(F)cc(F)cc1F.
What is the InChIKey of phenyl-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is MVGGLKJSDBRFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,13H,17H2.
What are the key properties of phenyl-(2,4,6-trifluorophenyl)methanamine?
phenyl-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 237.22 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 43198681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).