3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol

C16H14Cl2F3NO2 — CID 25253829

IUPAC3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol
SMILESCOc1ccc(C(O)(C(C)c2ccc(Cl)cc2Cl)C(F)(F)F)cn1
InChIInChI=1S/C16H14Cl2F3NO2/c1-9(12-5-4-11(17)7-13(12)18)15(23,16(19,20)21)10-3-6-14(24-2)22-8-10/h3-9,23H,1-2H3
InChIKeySSTRBSNUXMOGGE-UHFFFAOYSA-N
MW380.19 g/mol
LogP4.95
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol

3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol (PubChem CID 25253829) has the molecular formula C16H14Cl2F3NO2 and a molecular weight of 380.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol
PubChem CID25253829
Molecular FormulaC16H14Cl2F3NO2
Molecular Weight380.19 g/mol
Exact Mass379.04
IUPAC Name3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol
SMILESCOc1ccc(C(O)(C(C)c2ccc(Cl)cc2Cl)C(F)(F)F)cn1
InChIInChI=1S/C16H14Cl2F3NO2/c1-9(12-5-4-11(17)7-13(12)18)15(23,16(19,20)21)10-3-6-14(24-2)22-8-10/h3-9,23H,1-2H3
InChIKeySSTRBSNUXMOGGE-UHFFFAOYSA-N
XLogP4.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol?
The IUPAC name of 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol (CID 25253829) is 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol is COc1ccc(C(O)(C(C)c2ccc(Cl)cc2Cl)C(F)(F)F)cn1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol?
The InChIKey is SSTRBSNUXMOGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F3NO2/c1-9(12-5-4-11(17)7-13(12)18)15(23,16(19,20)21)10-3-6-14(24-2)22-8-10/h3-9,23H,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol?
3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol has a molecular weight of 380.19 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(6-methoxy-3-pyridinyl)butan-2-ol is sourced from PubChem (CID 25253829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).