3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol

C16H14Cl2F3NO — CID 25253054

IUPAC3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol
SMILESCCC(c1ccc(Cl)cc1Cl)C(O)(c1cccnc1)C(F)(F)F
InChIInChI=1S/C16H14Cl2F3NO/c1-2-13(12-6-5-11(17)8-14(12)18)15(23,16(19,20)21)10-4-3-7-22-9-10/h3-9,13,23H,2H2,1H3
InChIKeyNEGJJSOPUDEWRB-UHFFFAOYSA-N
MW364.19 g/mol
LogP5.33
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol

3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol (PubChem CID 25253054) has the molecular formula C16H14Cl2F3NO and a molecular weight of 364.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol
PubChem CID25253054
Molecular FormulaC16H14Cl2F3NO
Molecular Weight364.19 g/mol
Exact Mass363.04
IUPAC Name3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol
SMILESCCC(c1ccc(Cl)cc1Cl)C(O)(c1cccnc1)C(F)(F)F
InChIInChI=1S/C16H14Cl2F3NO/c1-2-13(12-6-5-11(17)8-14(12)18)15(23,16(19,20)21)10-4-3-7-22-9-10/h3-9,13,23H,2H2,1H3
InChIKeyNEGJJSOPUDEWRB-UHFFFAOYSA-N
XLogP5.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.19
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol?
The IUPAC name of 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol (CID 25253054) is 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol is CCC(c1ccc(Cl)cc1Cl)C(O)(c1cccnc1)C(F)(F)F.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol?
The InChIKey is NEGJJSOPUDEWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F3NO/c1-2-13(12-6-5-11(17)8-14(12)18)15(23,16(19,20)21)10-4-3-7-22-9-10/h3-9,13,23H,2H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol?
3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol has a molecular weight of 364.19 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-pyridin-3-ylpentan-2-ol is sourced from PubChem (CID 25253054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).