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

C13H11F4N3 — CID 129409507

IUPAC(2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNC[C@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C13H11F4N3/c14-10-3-1-8(2-4-10)11(5-18)9-6-19-12(20-7-9)13(15,16)17/h1-4,6-7,11H,5,18H2/t11-/m1/s1
InChIKeyINKFBCHLBZLHDJ-LLVKDONJSA-N
MW285.24 g/mol
LogP2.73
Rot. Bonds3

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

(2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 129409507) has the molecular formula C13H11F4N3 and a molecular weight of 285.24 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID129409507
Molecular FormulaC13H11F4N3
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name(2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNC[C@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C13H11F4N3/c14-10-3-1-8(2-4-10)11(5-18)9-6-19-12(20-7-9)13(15,16)17/h1-4,6-7,11H,5,18H2/t11-/m1/s1
InChIKeyINKFBCHLBZLHDJ-LLVKDONJSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 129409501
1-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 141403709
ethane;3-[3-(4-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]propanoyl]-1,3-oxazolidin-2-one
CID 144917286
2-(4-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 82023270
2-(4-fluorophenyl)-2-pyridin-2-ylethanamine
CID 82040232
2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82023265
2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82392538
(2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine
CID 129409511
1-fluoro-4-[2-fluoro-1-(4-fluorophenyl)ethyl]benzene
CID 170783572
(2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 129409499
2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106706114
2-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethanamine
CID 112709279

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 129409507) is (2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is NC[C@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is INKFBCHLBZLHDJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11F4N3/c14-10-3-1-8(2-4-10)11(5-18)9-6-19-12(20-7-9)13(15,16)17/h1-4,6-7,11H,5,18H2/t11-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
(2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 285.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 129409507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).