4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide

C11H14F2N2O2 — CID 106791374

IUPAC4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC(F)F)cc1OC
InChIInChI=1S/C11H14F2N2O2/c1-16-9-4-7(5-17-6-10(12)13)2-3-8(9)11(14)15/h2-4,10H,5-6H2,1H3,(H3,14,15)
InChIKeyNHYMTXMUELYZCZ-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.76
Rot. Bonds6

About 4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide

4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide (PubChem CID 106791374) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
PubChem CID106791374
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC(F)F)cc1OC
InChIInChI=1S/C11H14F2N2O2/c1-16-9-4-7(5-17-6-10(12)13)2-3-8(9)11(14)15/h2-4,10H,5-6H2,1H3,(H3,14,15)
InChIKeyNHYMTXMUELYZCZ-UHFFFAOYSA-N
XLogP1.76
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 106791383
4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 106791330
2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide
CID 106791408
4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106202148
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791185
4-[(4-bromophenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791107
4-[(2,4-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791193
2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide
CID 106791157
5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 65339965
2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
CID 106790768
2,4-dimethoxybenzenecarboximidamide
CID 4138242

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide (CID 106791374) is 4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(COCC(F)F)cc1OC.
What is the InChIKey of 4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide?
The InChIKey is NHYMTXMUELYZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-16-9-4-7(5-17-6-10(12)13)2-3-8(9)11(14)15/h2-4,10H,5-6H2,1H3,(H3,14,15).
What are the key properties of 4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide?
4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide has a molecular weight of 244.24 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106791374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).