N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide

C15H11F6NO3 — CID 10021851

IUPACN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2c(O)cccc12
InChIInChI=1S/C15H11F6NO3/c1-7(23)22-12-9-3-2-4-11(24)8(9)5-6-10(12)13(25,14(16,17)18)15(19,20)21/h2-6,24-25H,1H3,(H,22,23)
InChIKeyILJYCJNISPUHNO-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.82
Rot. Bonds2

About N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide

N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide (PubChem CID 10021851) has the molecular formula C15H11F6NO3 and a molecular weight of 367.25 g/mol. Its IUPAC name is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide
PubChem CID10021851
Molecular FormulaC15H11F6NO3
Molecular Weight367.25 g/mol
Exact Mass367.06
IUPAC NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2c(O)cccc12
InChIInChI=1S/C15H11F6NO3/c1-7(23)22-12-9-3-2-4-11(24)8(9)5-6-10(12)13(25,14(16,17)18)15(19,20)21/h2-6,24-25H,1H3,(H,22,23)
InChIKeyILJYCJNISPUHNO-UHFFFAOYSA-N
XLogP3.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide?
The IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide (CID 10021851) is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide?
The canonical SMILES for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide is CC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2c(O)cccc12.
What is the InChIKey of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide?
The InChIKey is ILJYCJNISPUHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO3/c1-7(23)22-12-9-3-2-4-11(24)8(9)5-6-10(12)13(25,14(16,17)18)15(19,20)21/h2-6,24-25H,1H3,(H,22,23).
What are the key properties of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide?
N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide has a molecular weight of 367.25 g/mol, XLogP of 3.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-hydroxynaphthalen-1-yl]acetamide is sourced from PubChem (CID 10021851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).