1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine

C13H11F4N3 — CID 107291869

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine
SMILESCNC(c1ccnnc1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F4N3/c1-18-12(9-4-5-19-20-7-9)8-2-3-11(14)10(6-8)13(15,16)17/h2-7,12,18H,1H3
InChIKeyMQULBPFBKAYUDX-UHFFFAOYSA-N
MW285.24 g/mol
LogP2.94
Rot. Bonds3

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine

1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine (PubChem CID 107291869) has the molecular formula C13H11F4N3 and a molecular weight of 285.24 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine
PubChem CID107291869
Molecular FormulaC13H11F4N3
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine
SMILESCNC(c1ccnnc1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F4N3/c1-18-12(9-4-5-19-20-7-9)8-2-3-11(14)10(6-8)13(15,16)17/h2-7,12,18H,1H3
InChIKeyMQULBPFBKAYUDX-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105144593
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 104988381
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991349
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 115794840
N-methyl-1-(2-methylquinolin-6-yl)-1-pyridazin-4-ylmethanamine
CID 105172295
1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 81163519
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethoxy-N-methylethanamine
CID 107289120
1-(3-chlorothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 80529038
1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 102763778
1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 105038403
[(3-fluoro-4-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105335389
N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105142994

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine (CID 107291869) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine is CNC(c1ccnnc1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine?
The InChIKey is MQULBPFBKAYUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3/c1-18-12(9-4-5-19-20-7-9)8-2-3-11(14)10(6-8)13(15,16)17/h2-7,12,18H,1H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine has a molecular weight of 285.24 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine is sourced from PubChem (CID 107291869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).