5-(3-chloro-2-fluorophenoxy)pentanimidamide

C11H14ClFN2O — CID 116689239

IUPAC5-(3-chloro-2-fluorophenoxy)pentanimidamide
SMILES[H]/N=C(\N)CCCCOc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O/c12-8-4-3-5-9(11(8)13)16-7-2-1-6-10(14)15/h3-5H,1-2,6-7H2,(H3,14,15)
InChIKeyMBFHINLQWLMKJC-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.96
Rot. Bonds6

About 5-(3-chloro-2-fluorophenoxy)pentanimidamide

5-(3-chloro-2-fluorophenoxy)pentanimidamide (PubChem CID 116689239) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenoxy)pentanimidamide.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenoxy)pentanimidamide
PubChem CID116689239
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name5-(3-chloro-2-fluorophenoxy)pentanimidamide
SMILES[H]/N=C(\N)CCCCOc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O/c12-8-4-3-5-9(11(8)13)16-7-2-1-6-10(14)15/h3-5H,1-2,6-7H2,(H3,14,15)
InChIKeyMBFHINLQWLMKJC-UHFFFAOYSA-N
XLogP2.96
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene
CID 116688904
5-[2-(trifluoromethyl)phenoxy]pentanimidamide
CID 54965748
4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
CID 116689241
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
4-[2-(trifluoromethyl)phenoxy]butanimidamide
CID 24702923
5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
CID 116690269
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
4-(2-ethoxyphenoxy)butanimidamide
CID 24698549
3-(3-chloro-2-fluorophenoxy)-N-methylpropan-1-amine
CID 116689634
2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol
CID 116689707
5-(2,4-dibromophenoxy)pentanimidamide
CID 64718456
N-[4-(3-chloro-2-fluorophenoxy)butyl]cyclopropanamine
CID 116690398

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenoxy)pentanimidamide?
The IUPAC name of 5-(3-chloro-2-fluorophenoxy)pentanimidamide (CID 116689239) is 5-(3-chloro-2-fluorophenoxy)pentanimidamide.
What is the SMILES notation for 5-(3-chloro-2-fluorophenoxy)pentanimidamide?
The canonical SMILES for 5-(3-chloro-2-fluorophenoxy)pentanimidamide is [H]/N=C(\N)CCCCOc1cccc(Cl)c1F.
What is the InChIKey of 5-(3-chloro-2-fluorophenoxy)pentanimidamide?
The InChIKey is MBFHINLQWLMKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c12-8-4-3-5-9(11(8)13)16-7-2-1-6-10(14)15/h3-5H,1-2,6-7H2,(H3,14,15).
What are the key properties of 5-(3-chloro-2-fluorophenoxy)pentanimidamide?
5-(3-chloro-2-fluorophenoxy)pentanimidamide has a molecular weight of 244.70 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenoxy)pentanimidamide is sourced from PubChem (CID 116689239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).