N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide

C12H14F3NO2 — CID 74066505

IUPACN-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)NC(Cc1ccccc1)C(O)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-8(17)16-10(11(18)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10-11,18H,7H2,1H3,(H,16,17)
InChIKeyGTMJJAHOTMEBJF-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.66
Rot. Bonds4

About N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide

N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide (PubChem CID 74066505) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide
PubChem CID74066505
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)NC(Cc1ccccc1)C(O)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-8(17)16-10(11(18)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10-11,18H,7H2,1H3,(H,16,17)
InChIKeyGTMJJAHOTMEBJF-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide
CID 44309732
N-lactoyl-phenylalanine
CID 11075454
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
2-Propenamide, N-(1-(hydroxymethyl)-2-phenylethyl)-3-phenyl-, (E)-(+-)-
CID 6040514
alpha-[[(1-Methylethyl)amino]methyl]benzeneethanol
CID 29545
tert-butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate
CID 7019371
N-(2-hydroxy-1-phenylethyl)acetamide
CID 15619841
L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide
CID 46937118
3-Amino-2-hydroxy-N-(3-methyl-butyl)-4-phenyl-butyramide
CID 44355762
(R,5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)-19-(3-(trifluoromethyl)phenyl)nonadeca-5,8,11,14-tetraenamide
CID 44563709
N-(2-hydroxy-3-phenylpropyl)acetamide
CID 15094684

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide?
The IUPAC name of N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide (CID 74066505) is N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide?
The canonical SMILES for N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide is CC(=O)NC(Cc1ccccc1)C(O)C(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide?
The InChIKey is GTMJJAHOTMEBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8(17)16-10(11(18)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10-11,18H,7H2,1H3,(H,16,17).
What are the key properties of N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide?
N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide has a molecular weight of 261.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 74066505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).