2-(3-chloro-4-fluorophenoxy)butanimidamide

C10H12ClFN2O — CID 63878136

IUPAC2-(3-chloro-4-fluorophenoxy)butanimidamide
SMILES[H]/N=C(\N)C(CC)Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O/c1-2-9(10(13)14)15-6-3-4-8(12)7(11)5-6/h3-5,9H,2H2,1H3,(H3,13,14)
InChIKeyVOFKMMYIUQSHET-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.57
Rot. Bonds4

About 2-(3-chloro-4-fluorophenoxy)butanimidamide

2-(3-chloro-4-fluorophenoxy)butanimidamide (PubChem CID 63878136) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)butanimidamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)butanimidamide
PubChem CID63878136
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-(3-chloro-4-fluorophenoxy)butanimidamide
SMILES[H]/N=C(\N)C(CC)Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O/c1-2-9(10(13)14)15-6-3-4-8(12)7(11)5-6/h3-5,9H,2H2,1H3,(H3,13,14)
InChIKeyVOFKMMYIUQSHET-UHFFFAOYSA-N
XLogP2.57
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.57
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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Related Compounds

2-chloro-1-fluoro-4-pentan-3-yloxybenzene
CID 166779725
2-(4-chloro-3-fluorophenoxy)propanimidamide
CID 82716648
2-(3-chloro-4-fluorophenoxy)ethanimidamide
CID 63878137
2-(5-bromo-2,3-difluorophenoxy)butanimidamide
CID 107099813
2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanimidamide
CID 63524867
4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide
CID 63880209
2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
2-(2,5-difluoro-4-nitrophenoxy)butanimidamide
CID 55217610
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
2-(2,5-dichlorophenoxy)butanamide
CID 62901251
ethyl 3-chloro-4-fluorobenzenecarboximidate chloride
CID 45108649
2-(4-bromo-2-propan-2-ylphenoxy)butanimidamide
CID 115402335

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)butanimidamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)butanimidamide (CID 63878136) is 2-(3-chloro-4-fluorophenoxy)butanimidamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)butanimidamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)butanimidamide is [H]/N=C(\N)C(CC)Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)butanimidamide?
The InChIKey is VOFKMMYIUQSHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-2-9(10(13)14)15-6-3-4-8(12)7(11)5-6/h3-5,9H,2H2,1H3,(H3,13,14).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)butanimidamide?
2-(3-chloro-4-fluorophenoxy)butanimidamide has a molecular weight of 230.67 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)butanimidamide is sourced from PubChem (CID 63878136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).