(1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine

C11H15F3N2O — CID 83123322

IUPAC(1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(OCCCC(F)(F)F)cn1
InChIInChI=1S/C11H15F3N2O/c1-8(15)10-4-3-9(7-16-10)17-6-2-5-11(12,13)14/h3-4,7-8H,2,5-6,15H2,1H3/t8-/m0/s1
InChIKeyUVJBSLRWLGPRIT-QMMMGPOBSA-N
MW248.25 g/mol
LogP2.82
Rot. Bonds5

About (1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine

(1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine (PubChem CID 83123322) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is (1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
PubChem CID83123322
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name(1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(OCCCC(F)(F)F)cn1
InChIInChI=1S/C11H15F3N2O/c1-8(15)10-4-3-9(7-16-10)17-6-2-5-11(12,13)14/h3-4,7-8H,2,5-6,15H2,1H3/t8-/m0/s1
InChIKeyUVJBSLRWLGPRIT-QMMMGPOBSA-N
XLogP2.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
CID 83123240
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
1-[5-(2-methoxyethoxy)-2-pyridinyl]ethanamine
CID 83127602
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275
1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine
CID 83128080
(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
CID 83123515
2-chloro-5-(4,4,4-trifluorobutoxy)pyridine
CID 115519759
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438
(1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine
CID 83124084
1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine
CID 83123998

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine (CID 83123322) is (1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine is C[C@H](N)c1ccc(OCCCC(F)(F)F)cn1.
What is the InChIKey of (1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine?
The InChIKey is UVJBSLRWLGPRIT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-8(15)10-4-3-9(7-16-10)17-6-2-5-11(12,13)14/h3-4,7-8H,2,5-6,15H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine?
(1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine has a molecular weight of 248.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).