1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C13H18F4N2O — CID 83126589

IUPAC1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCCN(CCC(O)c1ccc(F)cn1)CC(F)(F)F
InChIInChI=1S/C13H18F4N2O/c1-2-6-19(9-13(15,16)17)7-5-12(20)11-4-3-10(14)8-18-11/h3-4,8,12,20H,2,5-7,9H2,1H3
InChIKeyCOWUYUGHMIOSRW-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.92
Rot. Bonds7

About 1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol

1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 83126589) has the molecular formula C13H18F4N2O and a molecular weight of 294.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID83126589
Molecular FormulaC13H18F4N2O
Molecular Weight294.29 g/mol
Exact Mass294.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCCN(CCC(O)c1ccc(F)cn1)CC(F)(F)F
InChIInChI=1S/C13H18F4N2O/c1-2-6-19(9-13(15,16)17)7-5-12(20)11-4-3-10(14)8-18-11/h3-4,8,12,20H,2,5-7,9H2,1H3
InChIKeyCOWUYUGHMIOSRW-UHFFFAOYSA-N
XLogP2.92
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
CID 79722278
3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126666
1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62618647
1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol
CID 83111321
1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62628604
3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83111121
1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol
CID 114473963
1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol
CID 83126304
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517
1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 83126811
3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126803

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 83126589) is 1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol is CCCN(CCC(O)c1ccc(F)cn1)CC(F)(F)F.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is COWUYUGHMIOSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N2O/c1-2-6-19(9-13(15,16)17)7-5-12(20)11-4-3-10(14)8-18-11/h3-4,8,12,20H,2,5-7,9H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 294.29 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 83126589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).