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

C12H11F4N3 — CID 64765568

IUPAC[4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(F)cc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H11F4N3/c13-10-2-1-8(6-17)9(5-10)7-19-4-3-11(18-19)12(14,15)16/h1-5H,6-7,17H2
InChIKeyXIVRRMAXQALDIH-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.55
Rot. Bonds3

About [4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine

[4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine (PubChem CID 64765568) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is [4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
PubChem CID64765568
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name[4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(F)cc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H11F4N3/c13-10-2-1-8(6-17)9(5-10)7-19-4-3-11(18-19)12(14,15)16/h1-5H,6-7,17H2
InChIKeyXIVRRMAXQALDIH-UHFFFAOYSA-N
XLogP2.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine (CID 64765568) is [4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine is NCc1ccc(F)cc1Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of [4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is XIVRRMAXQALDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c13-10-2-1-8(6-17)9(5-10)7-19-4-3-11(18-19)12(14,15)16/h1-5H,6-7,17H2.
What are the key properties of [4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine?
[4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 273.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 64765568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).