3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide

C13H19FN2O2 — CID 24695744

IUPAC3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCCOC(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9(2)18-6-5-17-8-11-4-3-10(13(15)16)7-12(11)14/h3-4,7,9H,5-6,8H2,1-2H3,(H3,15,16)
InChIKeyRZGZSGQSAOTWBI-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.05
Rot. Bonds7

About 3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide

3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide (PubChem CID 24695744) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
PubChem CID24695744
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCCOC(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9(2)18-6-5-17-8-11-4-3-10(13(15)16)7-12(11)14/h3-4,7,9H,5-6,8H2,1-2H3,(H3,15,16)
InChIKeyRZGZSGQSAOTWBI-UHFFFAOYSA-N
XLogP2.05
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide (CID 24695744) is 3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(COCCOC(C)C)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide?
The InChIKey is RZGZSGQSAOTWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)18-6-5-17-8-11-4-3-10(13(15)16)7-12(11)14/h3-4,7,9H,5-6,8H2,1-2H3,(H3,15,16).
What are the key properties of 3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide?
3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide has a molecular weight of 254.31 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 24695744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).