(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine

C8H9F3N2 — CID 103689442

IUPAC(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1cccnc1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)4-7(12)6-2-1-3-13-5-6/h1-3,5,7H,4,12H2/t7-/m1/s1
InChIKeyPJDFMWZBIGAKDJ-SSDOTTSWSA-N
MW190.17 g/mol
LogP2.03
Rot. Bonds2

About (1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine

(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine (PubChem CID 103689442) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
PubChem CID103689442
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1cccnc1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)4-7(12)6-2-1-3-13-5-6/h1-3,5,7H,4,12H2/t7-/m1/s1
InChIKeyPJDFMWZBIGAKDJ-SSDOTTSWSA-N
XLogP2.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 165352272
1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214655
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2-amino-2-pyridin-3-ylethanol
CID 2734590
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid
CID 116938534
(1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine
CID 131371192
4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
CID 104736235
3-methyl-1-pyridin-3-ylbutane-1,4-diamine
CID 116934246
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of (1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine (CID 103689442) is (1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine is N[C@H](CC(F)(F)F)c1cccnc1.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine?
The InChIKey is PJDFMWZBIGAKDJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)4-7(12)6-2-1-3-13-5-6/h1-3,5,7H,4,12H2/t7-/m1/s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine?
(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine has a molecular weight of 190.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 103689442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).