4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol

C9H9F4NO — CID 79722278

IUPAC4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
SMILESOC(CCC(F)(F)F)c1ccc(F)cn1
InChIInChI=1S/C9H9F4NO/c10-6-1-2-7(14-5-6)8(15)3-4-9(11,12)13/h1-2,5,8,15H,3-4H2
InChIKeyFRJSXBMGXUAIOC-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.60
Rot. Bonds3

About 4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol

4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol (PubChem CID 79722278) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
PubChem CID79722278
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
SMILESOC(CCC(F)(F)F)c1ccc(F)cn1
InChIInChI=1S/C9H9F4NO/c10-6-1-2-7(14-5-6)8(15)3-4-9(11,12)13/h1-2,5,8,15H,3-4H2
InChIKeyFRJSXBMGXUAIOC-UHFFFAOYSA-N
XLogP2.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol
CID 114473963
(1R)-2-amino-1-(5-fluoro-2-pyridinyl)ethanol
CID 83128440
1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 83126589
2-(tert-butylamino)-1-(5-fluoro-2-pyridinyl)ethanol
CID 138472981
3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
CID 172780589
CID 172780589
1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanol
CID 79723827
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126033
[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl] methanesulfonate
CID 89392644
2-(3,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 82920135
3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83128589
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol (CID 79722278) is 4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol is OC(CCC(F)(F)F)c1ccc(F)cn1.
What is the InChIKey of 4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol?
The InChIKey is FRJSXBMGXUAIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-6-1-2-7(14-5-6)8(15)3-4-9(11,12)13/h1-2,5,8,15H,3-4H2.
What are the key properties of 4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol?
4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol has a molecular weight of 223.17 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol is sourced from PubChem (CID 79722278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).