3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide

C9H11FN2O — CID 136810259

IUPAC3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(O)c(F)c1)N(C)C
InChIInChI=1S/C9H11FN2O/c1-12(2)9(11)6-3-4-8(13)7(10)5-6/h3-5,11,13H,1-2H3/b11-9-
InChIKeyCANBYZNMSJODPI-LUAWRHEFSA-N
MW182.20 g/mol
LogP1.42
Rot. Bonds1

About 3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide

3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide (PubChem CID 136810259) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide
PubChem CID136810259
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(O)c(F)c1)N(C)C
InChIInChI=1S/C9H11FN2O/c1-12(2)9(11)6-3-4-8(13)7(10)5-6/h3-5,11,13H,1-2H3/b11-9-
InChIKeyCANBYZNMSJODPI-LUAWRHEFSA-N
XLogP1.42
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.42
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 3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide (CID 136810259) is 3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide is [H]/N=C(/c1ccc(O)c(F)c1)N(C)C.
What is the InChIKey of 3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide?
The InChIKey is CANBYZNMSJODPI-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-12(2)9(11)6-3-4-8(13)7(10)5-6/h3-5,11,13H,1-2H3/b11-9-.
What are the key properties of 3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide?
3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide has a molecular weight of 182.20 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide is sourced from PubChem (CID 136810259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).