3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol

C15H12Cl2F3NO — CID 25253208

IUPAC3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol
SMILESCC(c1cccc(Cl)c1Cl)C(O)(c1cccnc1)C(F)(F)F
InChIInChI=1S/C15H12Cl2F3NO/c1-9(11-5-2-6-12(16)13(11)17)14(22,15(18,19)20)10-4-3-7-21-8-10/h2-9,22H,1H3
InChIKeyXYHASIYPDSRWOO-UHFFFAOYSA-N
MW350.17 g/mol
LogP4.94
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol

3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol (PubChem CID 25253208) has the molecular formula C15H12Cl2F3NO and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol
PubChem CID25253208
Molecular FormulaC15H12Cl2F3NO
Molecular Weight350.17 g/mol
Exact Mass349.02
IUPAC Name3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol
SMILESCC(c1cccc(Cl)c1Cl)C(O)(c1cccnc1)C(F)(F)F
InChIInChI=1S/C15H12Cl2F3NO/c1-9(11-5-2-6-12(16)13(11)17)14(22,15(18,19)20)10-4-3-7-21-8-10/h2-9,22H,1H3
InChIKeyXYHASIYPDSRWOO-UHFFFAOYSA-N
XLogP4.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol?
The IUPAC name of 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol (CID 25253208) is 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol is CC(c1cccc(Cl)c1Cl)C(O)(c1cccnc1)C(F)(F)F.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol?
The InChIKey is XYHASIYPDSRWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3NO/c1-9(11-5-2-6-12(16)13(11)17)14(22,15(18,19)20)10-4-3-7-21-8-10/h2-9,22H,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol?
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol has a molecular weight of 350.17 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 25253208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).