2-chloro-6-fluorobenzenecarboximidamide

C7H6ClFN2 — CID 4125688

IUPAC2-chloro-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Cl
InChIInChI=1S/C7H6ClFN2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H3,10,11)
InChIKeyVPIREPLEOBSDJR-UHFFFAOYSA-N
MW172.59 g/mol
LogP1.76
Rot. Bonds1

About 2-chloro-6-fluorobenzenecarboximidamide

2-chloro-6-fluorobenzenecarboximidamide (PubChem CID 4125688) has the molecular formula C7H6ClFN2 and a molecular weight of 172.59 g/mol. Its IUPAC name is 2-chloro-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-fluorobenzenecarboximidamide
PubChem CID4125688
Molecular FormulaC7H6ClFN2
Molecular Weight172.59 g/mol
Exact Mass172.02
IUPAC Name2-chloro-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Cl
InChIInChI=1S/C7H6ClFN2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H3,10,11)
InChIKeyVPIREPLEOBSDJR-UHFFFAOYSA-N
XLogP1.76
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chlorobenzamidoxime
CID 9561067
4-Chlorobenzene-1-carboximidamide hydrochloride
CID 203436
(2-Chloro-3-fluorophenyl)methanamine
CID 50998690
2,4-Dichlorobenzamidoxime
CID 9581031
4-Chlorobenzamidine
CID 203437
2-Chloro-6-fluorobenzylamine
CID 84833
2-Chloro-4-fluorobenzylamine
CID 139909
4-Chlorobenzamidine hydroiodide
CID 2734221
2-Chlorobenzene-1-carboximidamide
CID 2740918
4-Fluorobenzamidine Hydrochloride
CID 12456160
4-chloro-N'-hydroxybenzenecarboximidamide
CID 224650
Benzamidoxime, 2,6-dichloro-, hydrochloride
CID 9578381

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-chloro-6-fluorobenzenecarboximidamide (CID 4125688) is 2-chloro-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluorobenzenecarboximidamide?
The InChIKey is VPIREPLEOBSDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H3,10,11).
What are the key properties of 2-chloro-6-fluorobenzenecarboximidamide?
2-chloro-6-fluorobenzenecarboximidamide has a molecular weight of 172.59 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 4125688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).