2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide

C12H14F3NO2 — CID 10220844

IUPAC2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide
SMILESCC(C)(O)c1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-11(2,18)9-5-3-8(4-6-9)7-16-10(17)12(13,14)15/h3-6,18H,7H2,1-2H3,(H,16,17)
InChIKeyRMUPPADNNSYNQM-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.09
Rot. Bonds3

About 2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide (PubChem CID 10220844) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide
PubChem CID10220844
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide
SMILESCC(C)(O)c1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-11(2,18)9-5-3-8(4-6-9)7-16-10(17)12(13,14)15/h3-6,18H,7H2,1-2H3,(H,16,17)
InChIKeyRMUPPADNNSYNQM-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

SR1555
CID 71470549
N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11610826
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
N1-(4-fluorobenzyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764243
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421
N-(2-hydroxy-2-phenylpropyl)acetamide
CID 11701184
Trifluoroacetamidophenylethanol
CID 129800673
2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide
CID 134950061
2,2,2-trifluoro-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]acetamide
CID 134950062
N-(2-hydroxy-2-phenylpropyl)pent-4-enamide
CID 56765333
N-[hydroxy(phenyl)methyl]acetamide
CID 18363668
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pivalamide
CID 56764195

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide (CID 10220844) is 2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide is CC(C)(O)c1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide?
The InChIKey is RMUPPADNNSYNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-11(2,18)9-5-3-8(4-6-9)7-16-10(17)12(13,14)15/h3-6,18H,7H2,1-2H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide?
2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 2.09, 3 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-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 10220844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).