4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol

C9H10F3NO2 — CID 177219210

IUPAC4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol
SMILESOCCC(Oc1ccccn1)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)7(4-6-14)15-8-3-1-2-5-13-8/h1-3,5,7,14H,4,6H2
InChIKeyGASIIPAKBZNNLJ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.77
Rot. Bonds4

About 4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol

4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol (PubChem CID 177219210) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol
PubChem CID177219210
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol
SMILESOCCC(Oc1ccccn1)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)7(4-6-14)15-8-3-1-2-5-13-8/h1-3,5,7,14H,4,6H2
InChIKeyGASIIPAKBZNNLJ-UHFFFAOYSA-N
XLogP1.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol?
The IUPAC name of 4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol (CID 177219210) is 4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol is OCCC(Oc1ccccn1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol?
The InChIKey is GASIIPAKBZNNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c10-9(11,12)7(4-6-14)15-8-3-1-2-5-13-8/h1-3,5,7,14H,4,6H2.
What are the key properties of 4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol?
4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol has a molecular weight of 221.18 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-pyridin-2-yloxybutan-1-ol is sourced from PubChem (CID 177219210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).