3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide

C13H18F2N2O3 — CID 103402805

IUPAC3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(OCCCOCCOC)c(F)c1
InChIInChI=1S/C13H18F2N2O3/c1-18-5-6-19-3-2-4-20-12-10(14)7-9(13(16)17)8-11(12)15/h7-8H,2-6H2,1H3,(H3,16,17)
InChIKeyNNGAWWFDHDFPCA-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.68
Rot. Bonds9

About 3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide

3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide (PubChem CID 103402805) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
PubChem CID103402805
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(OCCCOCCOC)c(F)c1
InChIInChI=1S/C13H18F2N2O3/c1-18-5-6-19-3-2-4-20-12-10(14)7-9(13(16)17)8-11(12)15/h7-8H,2-6H2,1H3,(H3,16,17)
InChIKeyNNGAWWFDHDFPCA-UHFFFAOYSA-N
XLogP1.68
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide
CID 81293857
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3,5-difluorobenzenecarboximidamide
CID 102740176
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402785
4-[cyclopropyl(2-methoxyethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81294570
3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 81293387
3-bromo-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177914
3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
CID 81293376
4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 115468146
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 81293475
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103178174

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide (CID 103402805) is 3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(OCCCOCCOC)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide?
The InChIKey is NNGAWWFDHDFPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-18-5-6-19-3-2-4-20-12-10(14)7-9(13(16)17)8-11(12)15/h7-8H,2-6H2,1H3,(H3,16,17).
What are the key properties of 3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide?
3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide has a molecular weight of 288.29 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide is sourced from PubChem (CID 103402805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).