N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide

C13H13F6NO2 — CID 872658

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide
SMILESCC(=O)Nc1c(C)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C13H13F6NO2/c1-6-4-9(5-7(2)10(6)20-8(3)21)11(22,12(14,15)16)13(17,18)19/h4-5,22H,1-3H3,(H,20,21)
InChIKeyAPDWVBKPQBQCPP-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.57
Rot. Bonds2

About N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide (PubChem CID 872658) has the molecular formula C13H13F6NO2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide
PubChem CID872658
Molecular FormulaC13H13F6NO2
Molecular Weight329.24 g/mol
Exact Mass329.09
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide
SMILESCC(=O)Nc1c(C)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C13H13F6NO2/c1-6-4-9(5-7(2)10(6)20-8(3)21)11(22,12(14,15)16)13(17,18)19/h4-5,22H,1-3H3,(H,20,21)
InChIKeyAPDWVBKPQBQCPP-UHFFFAOYSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide (CID 872658) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide is CC(=O)Nc1c(C)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1C.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide?
The InChIKey is APDWVBKPQBQCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO2/c1-6-4-9(5-7(2)10(6)20-8(3)21)11(22,12(14,15)16)13(17,18)19/h4-5,22H,1-3H3,(H,20,21).
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide has a molecular weight of 329.24 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 872658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).