N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide

C12H15F3N2O — CID 105060471

IUPACN-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide
SMILESCC(CN)(NC(=O)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F3N2O/c1-11(8-16,9-5-3-2-4-6-9)17-10(18)7-12(13,14)15/h2-6H,7-8,16H2,1H3,(H,17,18)
InChIKeyFHNGDLHGLHEWEQ-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.93
Rot. Bonds4

About N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide

N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide (PubChem CID 105060471) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide
PubChem CID105060471
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide
SMILESCC(CN)(NC(=O)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F3N2O/c1-11(8-16,9-5-3-2-4-6-9)17-10(18)7-12(13,14)15/h2-6H,7-8,16H2,1H3,(H,17,18)
InChIKeyFHNGDLHGLHEWEQ-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201
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CID 105060455
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N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105060436
N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide
CID 105060475
N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
CID 105060344
2-amino-N-[(2R)-1,2-diphenylpropan-2-yl]acetamide;hydrochloride
CID 76971010
N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide
CID 105060363
N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide
CID 119571116
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide (CID 105060471) is N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide is CC(CN)(NC(=O)CC(F)(F)F)c1ccccc1.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide?
The InChIKey is FHNGDLHGLHEWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-11(8-16,9-5-3-2-4-6-9)17-10(18)7-12(13,14)15/h2-6H,7-8,16H2,1H3,(H,17,18).
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide?
N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide has a molecular weight of 260.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 105060471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).