1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

C13H11F4N3 — CID 141403709

IUPAC1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNC(Cc1cnc(C(F)(F)F)nc1)c1ccc(F)cc1
InChIInChI=1S/C13H11F4N3/c14-10-3-1-9(2-4-10)11(18)5-8-6-19-12(20-7-8)13(15,16)17/h1-4,6-7,11H,5,18H2
InChIKeyOBDAVQNWHSXWEQ-UHFFFAOYSA-N
MW285.24 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 141403709) has the molecular formula C13H11F4N3 and a molecular weight of 285.24 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID141403709
Molecular FormulaC13H11F4N3
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNC(Cc1cnc(C(F)(F)F)nc1)c1ccc(F)cc1
InChIInChI=1S/C13H11F4N3/c14-10-3-1-9(2-4-10)11(18)5-8-6-19-12(20-7-8)13(15,16)17/h1-4,6-7,11H,5,18H2
InChIKeyOBDAVQNWHSXWEQ-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 141403709) is 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is NC(Cc1cnc(C(F)(F)F)nc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is OBDAVQNWHSXWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3/c14-10-3-1-9(2-4-10)11(18)5-8-6-19-12(20-7-8)13(15,16)17/h1-4,6-7,11H,5,18H2.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 285.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 141403709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).