1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

C14H12F4N2 — CID 79713415

IUPAC1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(F)cn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F4N2/c1-19-13(12-7-6-9(15)8-20-12)10-4-2-3-5-11(10)14(16,17)18/h2-8,13,19H,1H3
InChIKeyICBVAKRKJKUXRS-UHFFFAOYSA-N
MW284.26 g/mol
LogP3.55
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 79713415) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID79713415
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(F)cn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F4N2/c1-19-13(12-7-6-9(15)8-20-12)10-4-2-3-5-11(10)14(16,17)18/h2-8,13,19H,1H3
InChIKeyICBVAKRKJKUXRS-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (CID 79713415) is 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(F)cn1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ICBVAKRKJKUXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2/c1-19-13(12-7-6-9(15)8-20-12)10-4-2-3-5-11(10)14(16,17)18/h2-8,13,19H,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 284.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 79713415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).