3-(difluoromethoxy)-4-methylbenzenecarboximidamide

C9H10F2N2O — CID 107657251

IUPAC3-(difluoromethoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OC(F)F)c1
InChIInChI=1S/C9H10F2N2O/c1-5-2-3-6(8(12)13)4-7(5)14-9(10)11/h2-4,9H,1H3,(H3,12,13)
InChIKeyGXGQKDGBFYIZCU-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.88
Rot. Bonds3

About 3-(difluoromethoxy)-4-methylbenzenecarboximidamide

3-(difluoromethoxy)-4-methylbenzenecarboximidamide (PubChem CID 107657251) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methylbenzenecarboximidamide
PubChem CID107657251
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-(difluoromethoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OC(F)F)c1
InChIInChI=1S/C9H10F2N2O/c1-5-2-3-6(8(12)13)4-7(5)14-9(10)11/h2-4,9H,1H3,(H3,12,13)
InChIKeyGXGQKDGBFYIZCU-UHFFFAOYSA-N
XLogP1.88
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.88
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-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
CID 107657141
3-methyl-4-propan-2-yloxybenzenecarboximidamide
CID 60929364
ethyl 3-(difluoromethoxy)-4-methylbenzoate
CID 153338656
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
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107881722
3-(2-tert-butylsulfonylethoxy)-4-methylbenzenecarboximidamide
CID 107657342
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methylbenzenecarboximidamide?
The IUPAC name of 3-(difluoromethoxy)-4-methylbenzenecarboximidamide (CID 107657251) is 3-(difluoromethoxy)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-4-methylbenzenecarboximidamide?
The InChIKey is GXGQKDGBFYIZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-5-2-3-6(8(12)13)4-7(5)14-9(10)11/h2-4,9H,1H3,(H3,12,13).
What are the key properties of 3-(difluoromethoxy)-4-methylbenzenecarboximidamide?
3-(difluoromethoxy)-4-methylbenzenecarboximidamide has a molecular weight of 200.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107657251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).