(1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine

C8H7F5N2 — CID 131371192

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine
SMILESN[C@H](c1cccnc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F5N2/c9-7(10,8(11,12)13)6(14)5-2-1-3-15-4-5/h1-4,6H,14H2/t6-/m1/s1
InChIKeyUPIKYAAXXIPMCZ-ZCFIWIBFSA-N
MW226.15 g/mol
LogP2.28
Rot. Bonds2

About (1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine

(1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine (PubChem CID 131371192) has the molecular formula C8H7F5N2 and a molecular weight of 226.15 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine
PubChem CID131371192
Molecular FormulaC8H7F5N2
Molecular Weight226.15 g/mol
Exact Mass226.05
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine
SMILESN[C@H](c1cccnc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F5N2/c9-7(10,8(11,12)13)6(14)5-2-1-3-15-4-5/h1-4,6H,14H2/t6-/m1/s1
InChIKeyUPIKYAAXXIPMCZ-ZCFIWIBFSA-N
XLogP2.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
CID 103689442
amino(pyridin-3-yl)methanethiol
CID 116939546
2-amino-2-pyridin-3-ylethanol
CID 2734590
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214655
(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine
CID 66511645
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708
(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol
CID 124567765

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine (CID 131371192) is (1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine is N[C@H](c1cccnc1)C(F)(F)C(F)(F)F.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine?
The InChIKey is UPIKYAAXXIPMCZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H7F5N2/c9-7(10,8(11,12)13)6(14)5-2-1-3-15-4-5/h1-4,6H,14H2/t6-/m1/s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine?
(1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine has a molecular weight of 226.15 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 131371192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).