2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide

C10H10F3NO3 — CID 91391069

IUPAC2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide
SMILESCOC(O)c1cc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C10H10F3NO3/c1-17-9(16)7-4-5(10(11,12)13)2-3-6(7)8(14)15/h2-4,9,16H,1H3,(H2,14,15)
InChIKeyOGHCKCLUPDCBNT-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.44
Rot. Bonds3

About 2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide

2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 91391069) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide
PubChem CID91391069
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide
SMILESCOC(O)c1cc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C10H10F3NO3/c1-17-9(16)7-4-5(10(11,12)13)2-3-6(7)8(14)15/h2-4,9,16H,1H3,(H2,14,15)
InChIKeyOGHCKCLUPDCBNT-UHFFFAOYSA-N
XLogP1.44
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide (CID 91391069) is 2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide is COC(O)c1cc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is OGHCKCLUPDCBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-17-9(16)7-4-5(10(11,12)13)2-3-6(7)8(14)15/h2-4,9,16H,1H3,(H2,14,15).
What are the key properties of 2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide?
2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 249.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 91391069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).