N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide

C11H15FN2O — CID 136810260

IUPACN,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(O)c(F)c1)N(CC)CC
InChIInChI=1S/C11H15FN2O/c1-3-14(4-2)11(13)8-5-6-10(15)9(12)7-8/h5-7,13,15H,3-4H2,1-2H3/b13-11-
InChIKeyCHXWESMYGLKMMT-QBFSEMIESA-N
MW210.25 g/mol
LogP2.20
Rot. Bonds3

About N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide

N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide (PubChem CID 136810260) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide
PubChem CID136810260
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(O)c(F)c1)N(CC)CC
InChIInChI=1S/C11H15FN2O/c1-3-14(4-2)11(13)8-5-6-10(15)9(12)7-8/h5-7,13,15H,3-4H2,1-2H3/b13-11-
InChIKeyCHXWESMYGLKMMT-QBFSEMIESA-N
XLogP2.20
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide?
The IUPAC name of N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide (CID 136810260) is N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide.
What is the SMILES notation for N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide?
The canonical SMILES for N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide is [H]/N=C(/c1ccc(O)c(F)c1)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide?
The InChIKey is CHXWESMYGLKMMT-QBFSEMIESA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-14(4-2)11(13)8-5-6-10(15)9(12)7-8/h5-7,13,15H,3-4H2,1-2H3/b13-11-.
What are the key properties of N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide?
N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide has a molecular weight of 210.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide is sourced from PubChem (CID 136810260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).