N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine

C7H7F3N2O — CID 131036778

IUPACN-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine
SMILESON[C@H](c1cccnc1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(12-13)5-2-1-3-11-4-5/h1-4,6,12-13H/t6-/m1/s1
InChIKeySUBYKQOJHMJZSC-ZCFIWIBFSA-N
MW192.14 g/mol
LogP1.66
Rot. Bonds2

About N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine

N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine (PubChem CID 131036778) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine
PubChem CID131036778
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC NameN-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine
SMILESON[C@H](c1cccnc1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(12-13)5-2-1-3-11-4-5/h1-4,6,12-13H/t6-/m1/s1
InChIKeySUBYKQOJHMJZSC-ZCFIWIBFSA-N
XLogP1.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine 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

2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 134988458
CID 58450224
CID 58450224
2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
CID 99934472
4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97433684
(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol
CID 124567765
4-(1,2,4-triazol-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)benzamide
CID 77091530
2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 72895592
1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol
CID 85357126
4-ethyl-2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide
CID 99946797
3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 74231438
4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 74244228

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine?
The IUPAC name of N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine (CID 131036778) is N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine.
What is the SMILES notation for N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine?
The canonical SMILES for N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine is ON[C@H](c1cccnc1)C(F)(F)F.
What is the InChIKey of N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine?
The InChIKey is SUBYKQOJHMJZSC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6(12-13)5-2-1-3-11-4-5/h1-4,6,12-13H/t6-/m1/s1.
What are the key properties of N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine?
N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine has a molecular weight of 192.14 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine is sourced from PubChem (CID 131036778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).