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

C12H8F9NO2 — CID 2246142

IUPAC2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide
SMILESCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C12H8F9NO2/c1-5-2-3-6(4-7(5)22-8(23)10(13,14)15)9(24,11(16,17)18)12(19,20)21/h2-4,24H,1H3,(H,22,23)
InChIKeyXEQGXTPOCCSBRL-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.81
Rot. Bonds2

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

2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide (PubChem CID 2246142) has the molecular formula C12H8F9NO2 and a molecular weight of 369.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide
PubChem CID2246142
Molecular FormulaC12H8F9NO2
Molecular Weight369.18 g/mol
Exact Mass369.04
IUPAC Name2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide
SMILESCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C12H8F9NO2/c1-5-2-3-6(4-7(5)22-8(23)10(13,14)15)9(24,11(16,17)18)12(19,20)21/h2-4,24H,1H3,(H,22,23)
InChIKeyXEQGXTPOCCSBRL-UHFFFAOYSA-N
XLogP3.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

2,5-Dihydro-2,5-dioxo-3-hydroxy-8-methyl-1H-benzazepine
CID 126810
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CID 2323445
8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione
CID 10680274
A-151892
CID 4397986
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-butyramide
CID 10022595
3-Methyl-but-2-enoic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10318275
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
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]heptanamide
CID 130261792
3-Acetaminobenzyl alcohol
CID 96639
(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 2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide (CID 2246142) is 2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide is Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide?
The InChIKey is XEQGXTPOCCSBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F9NO2/c1-5-2-3-6(4-7(5)22-8(23)10(13,14)15)9(24,11(16,17)18)12(19,20)21/h2-4,24H,1H3,(H,22,23).
What are the key properties of 2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide?
2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide has a molecular weight of 369.18 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 2246142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).