2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide

C10H7F6NO2 — CID 59461909

IUPAC2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(NCc1ccc(C(F)(F)F)c(O)c1)C(F)(F)F
InChIInChI=1S/C10H7F6NO2/c11-9(12,13)6-2-1-5(3-7(6)18)4-17-8(19)10(14,15)16/h1-3,18H,4H2,(H,17,19)
InChIKeyKLJQAILJUHDYPV-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.59
Rot. Bonds2

About 2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 59461909) has the molecular formula C10H7F6NO2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID59461909
Molecular FormulaC10H7F6NO2
Molecular Weight287.16 g/mol
Exact Mass287.04
IUPAC Name2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(NCc1ccc(C(F)(F)F)c(O)c1)C(F)(F)F
InChIInChI=1S/C10H7F6NO2/c11-9(12,13)6-2-1-5(3-7(6)18)4-17-8(19)10(14,15)16/h1-3,18H,4H2,(H,17,19)
InChIKeyKLJQAILJUHDYPV-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide (CID 59461909) is 2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(NCc1ccc(C(F)(F)F)c(O)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is KLJQAILJUHDYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO2/c11-9(12,13)6-2-1-5(3-7(6)18)4-17-8(19)10(14,15)16/h1-3,18H,4H2,(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide?
2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 287.16 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 59461909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).