[2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine

C11H9F4N3 — CID 79517436

IUPAC[2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
SMILESNCc1c(F)cccc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H9F4N3/c12-8-2-1-3-9(7(8)6-16)18-5-4-10(17-18)11(13,14)15/h1-5H,6,16H2
InChIKeyNQCBLLNOBQKKJM-UHFFFAOYSA-N
MW259.21 g/mol
LogP2.49
Rot. Bonds2

About [2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine

[2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine (PubChem CID 79517436) has the molecular formula C11H9F4N3 and a molecular weight of 259.21 g/mol. Its IUPAC name is [2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
PubChem CID79517436
Molecular FormulaC11H9F4N3
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name[2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
SMILESNCc1c(F)cccc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H9F4N3/c12-8-2-1-3-9(7(8)6-16)18-5-4-10(17-18)11(13,14)15/h1-5H,6,16H2
InChIKeyNQCBLLNOBQKKJM-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The IUPAC name of [2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine (CID 79517436) is [2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine is NCc1c(F)cccc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of [2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The InChIKey is NQCBLLNOBQKKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3/c12-8-2-1-3-9(7(8)6-16)18-5-4-10(17-18)11(13,14)15/h1-5H,6,16H2.
What are the key properties of [2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
[2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine has a molecular weight of 259.21 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 79517436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).