1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol

C10H13F3N2O — CID 81410735

IUPAC1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)C(F)(F)F)c1ccncc1
InChIInChI=1S/C10H13F3N2O/c1-7(8-2-4-14-5-3-8)15-6-9(16)10(11,12)13/h2-5,7,9,15-16H,6H2,1H3/t7-,9?/m1/s1
InChIKeyJLOPJSKTGAYYTD-YOXFSPIKSA-N
MW234.22 g/mol
LogP1.66
Rot. Bonds4

About 1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol

1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol (PubChem CID 81410735) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
PubChem CID81410735
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)C(F)(F)F)c1ccncc1
InChIInChI=1S/C10H13F3N2O/c1-7(8-2-4-14-5-3-8)15-6-9(16)10(11,12)13/h2-5,7,9,15-16H,6H2,1H3/t7-,9?/m1/s1
InChIKeyJLOPJSKTGAYYTD-YOXFSPIKSA-N
XLogP1.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63902301
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid
CID 103258965
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
CID 115880427
1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 115712106
3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258978
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81381755
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81372262

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol (CID 81410735) is 1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol is C[C@@H](NCC(O)C(F)(F)F)c1ccncc1.
What is the InChIKey of 1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The InChIKey is JLOPJSKTGAYYTD-YOXFSPIKSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7(8-2-4-14-5-3-8)15-6-9(16)10(11,12)13/h2-5,7,9,15-16H,6H2,1H3/t7-,9?/m1/s1.
What are the key properties of 1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81410735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).