3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide

C12H14F3NO2 — CID 95040090

IUPAC3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
SMILESO=C(CC(F)(F)F)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)7-11(18)16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,16,18)/t10-/m1/s1
InChIKeyPRNIDCSLWBCZAN-SNVBAGLBSA-N
MW261.24 g/mol
LogP1.66
Rot. Bonds5

About 3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide

3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide (PubChem CID 95040090) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
PubChem CID95040090
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
SMILESO=C(CC(F)(F)F)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)7-11(18)16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,16,18)/t10-/m1/s1
InChIKeyPRNIDCSLWBCZAN-SNVBAGLBSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 107862064
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 109387993
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
3-acetamido-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 63260698
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
CID 107861443
6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
CID 65291089
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide
CID 99780548
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 2324672
2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 107861005
3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide (CID 95040090) is 3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide is O=C(CC(F)(F)F)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide?
The InChIKey is PRNIDCSLWBCZAN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)7-11(18)16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,16,18)/t10-/m1/s1.
What are the key properties of 3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide?
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide has a molecular weight of 261.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide is sourced from PubChem (CID 95040090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).