(1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine

C7H5F5N2 — CID 130641095

IUPAC(1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1cnc(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C7H5F5N2/c8-4-1-3(2-14-6(4)9)5(13)7(10,11)12/h1-2,5H,13H2/t5-/m1/s1
InChIKeyQQXHHYRTBMEGAF-RXMQYKEDSA-N
MW212.12 g/mol
LogP1.92
Rot. Bonds1

About (1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine

(1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine (PubChem CID 130641095) has the molecular formula C7H5F5N2 and a molecular weight of 212.12 g/mol. Its IUPAC name is (1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
PubChem CID130641095
Molecular FormulaC7H5F5N2
Molecular Weight212.12 g/mol
Exact Mass212.04
IUPAC Name(1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1cnc(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C7H5F5N2/c8-4-1-3(2-14-6(4)9)5(13)7(10,11)12/h1-2,5H,13H2/t5-/m1/s1
InChIKeyQQXHHYRTBMEGAF-RXMQYKEDSA-N
XLogP1.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 131029081
(1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine
CID 130623639
(1S)-2,2,2-trifluoro-1-(3,4,5-trifluorophenyl)ethanamine
CID 56971921
(1R)-2,2,2-trifluoro-1-(3,4,5-trifluorophenyl)ethanamine
CID 56971920
(1S)-2,2,2-trifluoro-1-(3,4,5-trifluorophenyl)ethanamine;hydrochloride
CID 171248276
2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanamine
CID 55296694
(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290350
5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
CID 55274382
5-(1-amino-2,2,2-trifluoroethyl)pyridin-3-amine
CID 55270823
3-(5,6-difluoro-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869978
(1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 130655879
(1S)-1-(4-chloro-3-fluorophenyl)-2,2,2-trifluoroethanamine
CID 56971915

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine (CID 130641095) is (1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine is N[C@H](c1cnc(F)c(F)c1)C(F)(F)F.
What is the InChIKey of (1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The InChIKey is QQXHHYRTBMEGAF-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H5F5N2/c8-4-1-3(2-14-6(4)9)5(13)7(10,11)12/h1-2,5H,13H2/t5-/m1/s1.
What are the key properties of (1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine?
(1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine has a molecular weight of 212.12 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 130641095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).