N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide

C11H12F3NO3 — CID 168651283

IUPACN-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide
SMILESCOC(OC)c1ccc(NC=O)cc1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-17-10(18-2)8-4-3-7(15-6-16)5-9(8)11(12,13)14/h3-6,10H,1-2H3,(H,15,16)
InChIKeyYJAANYFPHFDZJZ-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.57
Rot. Bonds5

About N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide

N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide (PubChem CID 168651283) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide
PubChem CID168651283
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC NameN-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide
SMILESCOC(OC)c1ccc(NC=O)cc1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-17-10(18-2)8-4-3-7(15-6-16)5-9(8)11(12,13)14/h3-6,10H,1-2H3,(H,15,16)
InChIKeyYJAANYFPHFDZJZ-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide (CID 168651283) is N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide is COC(OC)c1ccc(NC=O)cc1C(F)(F)F.
What is the InChIKey of N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide?
The InChIKey is YJAANYFPHFDZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-17-10(18-2)8-4-3-7(15-6-16)5-9(8)11(12,13)14/h3-6,10H,1-2H3,(H,15,16).
What are the key properties of N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide?
N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide has a molecular weight of 263.21 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 168651283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).