N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide

C10H10F3NO2 — CID 14436610

IUPACN-benzyl-3,3,3-trifluoro-2-hydroxypropanamide
SMILESO=C(NCc1ccccc1)C(O)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)8(15)9(16)14-6-7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)
InChIKeyNTLMSWVAOMVWLC-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.23
Rot. Bonds3

About N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide

N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 14436610) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound NameN-benzyl-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID14436610
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC NameN-benzyl-3,3,3-trifluoro-2-hydroxypropanamide
SMILESO=C(NCc1ccccc1)C(O)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)8(15)9(16)14-6-7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)
InChIKeyNTLMSWVAOMVWLC-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide (CID 14436610) is N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide is O=C(NCc1ccccc1)C(O)C(F)(F)F.
What is the InChIKey of N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is NTLMSWVAOMVWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)8(15)9(16)14-6-7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16).
What are the key properties of N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide?
N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 233.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 14436610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).