1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol

C11H10F3N3O — CID 86792569

IUPAC1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol
SMILESOC(Cn1ccnc1-c1ccncc1)C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)9(18)7-17-6-5-16-10(17)8-1-3-15-4-2-8/h1-6,9,18H,7H2
InChIKeyKVWZGAQPAYGBNK-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.87
Rot. Bonds3

About 1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol

1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol (PubChem CID 86792569) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol
PubChem CID86792569
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol
SMILESOC(Cn1ccnc1-c1ccncc1)C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)9(18)7-17-6-5-16-10(17)8-1-3-15-4-2-8/h1-6,9,18H,7H2
InChIKeyKVWZGAQPAYGBNK-UHFFFAOYSA-N
XLogP1.87
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol (CID 86792569) is 1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol is OC(Cn1ccnc1-c1ccncc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol?
The InChIKey is KVWZGAQPAYGBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)9(18)7-17-6-5-16-10(17)8-1-3-15-4-2-8/h1-6,9,18H,7H2.
What are the key properties of 1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol?
1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol has a molecular weight of 257.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 86792569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).