(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine

C13H11F3N2 — CID 66511645

IUPAC(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine
SMILESN[C@H](c1ccc(-c2cccnc2)cc1)C(F)(F)F
InChIInChI=1S/C13H11F3N2/c14-13(15,16)12(17)10-5-3-9(4-6-10)11-2-1-7-18-8-11/h1-8,12H,17H2/t12-/m1/s1
InChIKeyILFWINFVHNEMFA-GFCCVEGCSA-N
MW252.24 g/mol
LogP3.31
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine

(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine (PubChem CID 66511645) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine
PubChem CID66511645
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine
SMILESN[C@H](c1ccc(-c2cccnc2)cc1)C(F)(F)F
InChIInChI=1S/C13H11F3N2/c14-13(15,16)12(17)10-5-3-9(4-6-10)11-2-1-7-18-8-11/h1-8,12H,17H2/t12-/m1/s1
InChIKeyILFWINFVHNEMFA-GFCCVEGCSA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-azulen-6-ylpyridine
CID 86232079
(1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol
CID 71050048
2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
CID 77129112
cyclopenta[c]azepine
CID 638010
diphenyl-bis(4-pyridin-3-ylphenyl)silane
CID 89499878
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926
3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 165352272
(1S)-2,2,2-trifluoro-1-(3-pyridin-4-ylphenyl)ethanamine
CID 66511669
(1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine
CID 66510300
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
(1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine
CID 131371192

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine (CID 66511645) is (1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine is N[C@H](c1ccc(-c2cccnc2)cc1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine?
The InChIKey is ILFWINFVHNEMFA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-13(15,16)12(17)10-5-3-9(4-6-10)11-2-1-7-18-8-11/h1-8,12H,17H2/t12-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine?
(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine has a molecular weight of 252.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine is sourced from PubChem (CID 66511645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).