[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium

C8H10F3N2+ — CID 164715814

IUPAC[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
SMILESC[C@@H]([NH3+])c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H9F3N2/c1-5(12)6-2-3-7(13-4-6)8(9,10)11/h2-5H,12H2,1H3/p+1/t5-/m1/s1
InChIKeyHBSGXPCKIDZNIF-RXMQYKEDSA-O
MW191.18 g/mol
LogP1.40
Rot. Bonds1

About [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium

[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium (PubChem CID 164715814) has the molecular formula C8H10F3N2+ and a molecular weight of 191.18 g/mol. Its IUPAC name is [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
PubChem CID164715814
Molecular FormulaC8H10F3N2+
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
SMILESC[C@@H]([NH3+])c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H9F3N2/c1-5(12)6-2-3-7(13-4-6)8(9,10)11/h2-5H,12H2,1H3/p+1/t5-/m1/s1
InChIKeyHBSGXPCKIDZNIF-RXMQYKEDSA-O
XLogP1.40
TPSA40.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium 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

5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
CID 66695263
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558
2-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanedial
CID 166650530
5-(1-sulfinylpropan-2-yl)-2-(trifluoromethyl)pyridine
CID 87392243
3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
CID 145489922
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 68813957
ethane;5-methyl-2-(trifluoromethyl)pyridine
CID 143930819
5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine
CID 142219929
(2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 129409501
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine
CID 135234346
(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
CID 130664334

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium?
The IUPAC name of [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium (CID 164715814) is [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium.
What is the SMILES notation for [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium?
The canonical SMILES for [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium is C[C@@H]([NH3+])c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium?
The InChIKey is HBSGXPCKIDZNIF-RXMQYKEDSA-O. The full InChI is InChI=1S/C8H9F3N2/c1-5(12)6-2-3-7(13-4-6)8(9,10)11/h2-5H,12H2,1H3/p+1/t5-/m1/s1.
What are the key properties of [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium?
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium has a molecular weight of 191.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium is sourced from PubChem (CID 164715814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).