N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide

C16H13F6NO3 — CID 10249251

IUPACN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C16H13F6NO3/c1-26-8-12(24)23-13-10-5-3-2-4-9(10)6-7-11(13)14(25,15(17,18)19)16(20,21)22/h2-7,25H,8H2,1H3,(H,23,24)
InChIKeyGHQGDOHARFDEDK-UHFFFAOYSA-N
MW381.27 g/mol
LogP3.74
Rot. Bonds4

About N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide

N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide (PubChem CID 10249251) has the molecular formula C16H13F6NO3 and a molecular weight of 381.27 g/mol. Its IUPAC name is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide
PubChem CID10249251
Molecular FormulaC16H13F6NO3
Molecular Weight381.27 g/mol
Exact Mass381.08
IUPAC NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C16H13F6NO3/c1-26-8-12(24)23-13-10-5-3-2-4-9(10)6-7-11(13)14(25,15(17,18)19)16(20,21)22/h2-7,25H,8H2,1H3,(H,23,24)
InChIKeyGHQGDOHARFDEDK-UHFFFAOYSA-N
XLogP3.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide with MolForge

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Related Compounds

A-151892
CID 4397986
N-[5-Hydroxy-2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-acetamide
CID 10021851
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-butyramide
CID 10022595
Cyclobutanecarboxylic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10045948
Cyclopentanecarboxylic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10092671
3-Methyl-but-2-enoic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10318275
Cyclopropanecarboxylic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10362210
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-propionamide
CID 10451456
4-Methyl-pentanoic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10476467
2-Cyclopentyl-N-[2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-acetamide
CID 11742811
(E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide
CID 10068147
2-Ethyl-N-[2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-butyramide
CID 10092786

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide (CID 10249251) is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide is COCC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide?
The InChIKey is GHQGDOHARFDEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6NO3/c1-26-8-12(24)23-13-10-5-3-2-4-9(10)6-7-11(13)14(25,15(17,18)19)16(20,21)22/h2-7,25H,8H2,1H3,(H,23,24).
What are the key properties of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide?
N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methoxyacetamide has a molecular weight of 381.27 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 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)naphthalen-1-yl]-2-methoxyacetamide is sourced from PubChem (CID 10249251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).