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

C9H10ClFN2O — CID 82716648

IUPAC2-(4-chloro-3-fluorophenoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H10ClFN2O/c1-5(9(12)13)14-6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H3,12,13)
InChIKeyDVZRPEJSJNYPIH-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.18
Rot. Bonds3

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

2-(4-chloro-3-fluorophenoxy)propanimidamide (PubChem CID 82716648) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)propanimidamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)propanimidamide
PubChem CID82716648
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name2-(4-chloro-3-fluorophenoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H10ClFN2O/c1-5(9(12)13)14-6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H3,12,13)
InChIKeyDVZRPEJSJNYPIH-UHFFFAOYSA-N
XLogP2.18
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.18
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-(4-chloro-3-fluorophenoxy)propanethioamide
CID 82716100
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
2-(3-chlorophenoxy)propanimidamide;hydrochloride
CID 160750726
2-(3-chloro-4-fluorophenoxy)butanimidamide
CID 63878136
2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine
CID 82727291
2-(4-chloro-3-fluorophenoxy)-N-phenylpropanamide
CID 82705817
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134
4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 82717295
1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
CID 82726969
2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 63984205
2-(4-benzylphenoxy)propanimidamide
CID 55054330
2-(4-chloro-3-fluorophenoxy)octanamide
CID 175719063

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)propanimidamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)propanimidamide (CID 82716648) is 2-(4-chloro-3-fluorophenoxy)propanimidamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)propanimidamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)propanimidamide is [H]/N=C(\N)C(C)Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)propanimidamide?
The InChIKey is DVZRPEJSJNYPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-5(9(12)13)14-6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H3,12,13).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)propanimidamide?
2-(4-chloro-3-fluorophenoxy)propanimidamide has a molecular weight of 216.64 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)propanimidamide is sourced from PubChem (CID 82716648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).