3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide

C15H20F3NO3 — CID 11209374

IUPAC3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide
SMILESCC(C)c1cc(C(O)(C(N)=O)C(F)(F)F)cc(C(C)C)c1O
InChIInChI=1S/C15H20F3NO3/c1-7(2)10-5-9(6-11(8(3)4)12(10)20)14(22,13(19)21)15(16,17)18/h5-8,20,22H,1-4H3,(H2,19,21)
InChIKeySIATWMLBRMDIIG-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.87
Rot. Bonds4

About 3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide

3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide (PubChem CID 11209374) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide
PubChem CID11209374
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide
SMILESCC(C)c1cc(C(O)(C(N)=O)C(F)(F)F)cc(C(C)C)c1O
InChIInChI=1S/C15H20F3NO3/c1-7(2)10-5-9(6-11(8(3)4)12(10)20)14(22,13(19)21)15(16,17)18/h5-8,20,22H,1-4H3,(H2,19,21)
InChIKeySIATWMLBRMDIIG-UHFFFAOYSA-N
XLogP2.87
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide (CID 11209374) is 3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide is CC(C)c1cc(C(O)(C(N)=O)C(F)(F)F)cc(C(C)C)c1O.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide?
The InChIKey is SIATWMLBRMDIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-7(2)10-5-9(6-11(8(3)4)12(10)20)14(22,13(19)21)15(16,17)18/h5-8,20,22H,1-4H3,(H2,19,21).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide?
3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide has a molecular weight of 319.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide is sourced from PubChem (CID 11209374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).