N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C13H16F3NO2 — CID 118476439

IUPACN-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCC(=O)N(CC(O)C(F)(F)F)[C@H](C)c1ccccc1
InChIInChI=1S/C13H16F3NO2/c1-9(11-6-4-3-5-7-11)17(10(2)18)8-12(19)13(14,15)16/h3-7,9,12,19H,8H2,1-2H3/t9-,12?/m1/s1
InChIKeyIFWCAVCLCRFXDQ-PKEIRNPWSA-N
MW275.27 g/mol
LogP2.52
Rot. Bonds4

About N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 118476439) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID118476439
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCC(=O)N(CC(O)C(F)(F)F)[C@H](C)c1ccccc1
InChIInChI=1S/C13H16F3NO2/c1-9(11-6-4-3-5-7-11)17(10(2)18)8-12(19)13(14,15)16/h3-7,9,12,19H,8H2,1-2H3/t9-,12?/m1/s1
InChIKeyIFWCAVCLCRFXDQ-PKEIRNPWSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 118476439) is N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is CC(=O)N(CC(O)C(F)(F)F)[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is IFWCAVCLCRFXDQ-PKEIRNPWSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9(11-6-4-3-5-7-11)17(10(2)18)8-12(19)13(14,15)16/h3-7,9,12,19H,8H2,1-2H3/t9-,12?/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 275.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 118476439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).