N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide

C10H7F6NO2 — CID 87602981

IUPACN-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(C(F)(F)F)ccc(O)c1C(F)(F)F
InChIInChI=1S/C10H7F6NO2/c1-4(18)17-8-5(9(11,12)13)2-3-6(19)7(8)10(14,15)16/h2-3,19H,1H3,(H,17,18)
InChIKeyIRVGSEKLGFULAL-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.39
Rot. Bonds1

About N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide

N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 87602981) has the molecular formula C10H7F6NO2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide
PubChem CID87602981
Molecular FormulaC10H7F6NO2
Molecular Weight287.16 g/mol
Exact Mass287.04
IUPAC NameN-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(C(F)(F)F)ccc(O)c1C(F)(F)F
InChIInChI=1S/C10H7F6NO2/c1-4(18)17-8-5(9(11,12)13)2-3-6(19)7(8)10(14,15)16/h2-3,19H,1H3,(H,17,18)
InChIKeyIRVGSEKLGFULAL-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide (CID 87602981) is N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1c(C(F)(F)F)ccc(O)c1C(F)(F)F.
What is the InChIKey of N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is IRVGSEKLGFULAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO2/c1-4(18)17-8-5(9(11,12)13)2-3-6(19)7(8)10(14,15)16/h2-3,19H,1H3,(H,17,18).
What are the key properties of N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide?
N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 287.16 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 87602981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).