3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide

C10H12F2N2O — CID 107657141

IUPAC3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCC(F)F)c1
InChIInChI=1S/C10H12F2N2O/c1-6-2-3-7(10(13)14)4-8(6)15-5-9(11)12/h2-4,9H,5H2,1H3,(H3,13,14)
InChIKeyLOQYHBPASGXVMX-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.92
Rot. Bonds4

About 3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide

3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide (PubChem CID 107657141) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
PubChem CID107657141
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCC(F)F)c1
InChIInChI=1S/C10H12F2N2O/c1-6-2-3-7(10(13)14)4-8(6)15-5-9(11)12/h2-4,9H,5H2,1H3,(H3,13,14)
InChIKeyLOQYHBPASGXVMX-UHFFFAOYSA-N
XLogP1.92
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-(difluoromethoxy)-4-methylbenzenecarboximidamide
CID 107657251
3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657148
3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
CID 107912552
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107881722
3-(2-tert-butylsulfonylethoxy)-4-methylbenzenecarboximidamide
CID 107657342
5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide
CID 82004072
4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
CID 107657059
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657260
3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657180

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide (CID 107657141) is 3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(OCC(F)F)c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide?
The InChIKey is LOQYHBPASGXVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6-2-3-7(10(13)14)4-8(6)15-5-9(11)12/h2-4,9H,5H2,1H3,(H3,13,14).
What are the key properties of 3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide?
3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide has a molecular weight of 214.22 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107657141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).