4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide

C14H21FN2O2 — CID 29002961

IUPAC4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCCOCCCC)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-2-3-6-18-7-8-19-10-12-5-4-11(14(16)17)9-13(12)15/h4-5,9H,2-3,6-8,10H2,1H3,(H3,16,17)
InChIKeyDFLUYUXLYISDGS-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.44
Rot. Bonds9

About 4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide

4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide (PubChem CID 29002961) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide
PubChem CID29002961
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCCOCCCC)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-2-3-6-18-7-8-19-10-12-5-4-11(14(16)17)9-13(12)15/h4-5,9H,2-3,6-8,10H2,1H3,(H3,16,17)
InChIKeyDFLUYUXLYISDGS-UHFFFAOYSA-N
XLogP2.44
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.44
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 4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide (CID 29002961) is 4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(COCCOCCCC)c(F)c1.
What is the InChIKey of 4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide?
The InChIKey is DFLUYUXLYISDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-2-3-6-18-7-8-19-10-12-5-4-11(14(16)17)9-13(12)15/h4-5,9H,2-3,6-8,10H2,1H3,(H3,16,17).
What are the key properties of 4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide?
4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide has a molecular weight of 268.33 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxymethyl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 29002961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).