2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide

C25H17F6NO4 — CID 134132344

IUPAC2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide
SMILESO=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)Nc1cccc2ccccc12
InChIInChI=1S/C25H17F6NO4/c26-24(27,28)23(35,25(29,30)31)19-11-15-8-9-17(10-16(15)12-21(19)33)36-13-22(34)32-20-7-3-5-14-4-1-2-6-18(14)20/h1-12,33,35H,13H2,(H,32,34)
InChIKeyMEWRBWOGIHCSRG-UHFFFAOYSA-N
MW509.40 g/mol
LogP6.03
Rot. Bonds5

About 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide

2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide (PubChem CID 134132344) has the molecular formula C25H17F6NO4 and a molecular weight of 509.40 g/mol. Its IUPAC name is 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide
PubChem CID134132344
Molecular FormulaC25H17F6NO4
Molecular Weight509.40 g/mol
Exact Mass509.11
IUPAC Name2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide
SMILESO=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)Nc1cccc2ccccc12
InChIInChI=1S/C25H17F6NO4/c26-24(27,28)23(35,25(29,30)31)19-11-15-8-9-17(10-16(15)12-21(19)33)36-13-22(34)32-20-7-3-5-14-4-1-2-6-18(14)20/h1-12,33,35H,13H2,(H,32,34)
InChIKeyMEWRBWOGIHCSRG-UHFFFAOYSA-N
XLogP6.03
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.40
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide (CID 134132344) is 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide is O=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)Nc1cccc2ccccc12.
What is the InChIKey of 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide?
The InChIKey is MEWRBWOGIHCSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F6NO4/c26-24(27,28)23(35,25(29,30)31)19-11-15-8-9-17(10-16(15)12-21(19)33)36-13-22(34)32-20-7-3-5-14-4-1-2-6-18(14)20/h1-12,33,35H,13H2,(H,32,34).
What are the key properties of 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide?
2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide has a molecular weight of 509.40 g/mol, XLogP of 6.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 134132344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).