2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide

C9H10ClFN2O — CID 82471702

IUPAC2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide
SMILESCCO/N=C(\N)c1c(F)cccc1Cl
InChIInChI=1S/C9H10ClFN2O/c1-2-14-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3,(H2,12,13)
InChIKeyCPSUFHJNHGPJKX-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.14
Rot. Bonds3

About 2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide

2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide (PubChem CID 82471702) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide
PubChem CID82471702
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide
SMILESCCO/N=C(\N)c1c(F)cccc1Cl
InChIInChI=1S/C9H10ClFN2O/c1-2-14-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3,(H2,12,13)
InChIKeyCPSUFHJNHGPJKX-UHFFFAOYSA-N
XLogP2.14
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide (CID 82471702) is 2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide is CCO/N=C(\N)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide?
The InChIKey is CPSUFHJNHGPJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-2-14-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3,(H2,12,13).
What are the key properties of 2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide?
2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide has a molecular weight of 216.64 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 82471702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).