2-(5-bromo-2,3-difluorophenoxy)butanimidamide

C10H11BrF2N2O — CID 107099813

IUPAC2-(5-bromo-2,3-difluorophenoxy)butanimidamide
SMILES[H]/N=C(\N)C(CC)Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C10H11BrF2N2O/c1-2-7(10(14)15)16-8-4-5(11)3-6(12)9(8)13/h3-4,7H,2H2,1H3,(H3,14,15)
InChIKeyVDTYINMOTXOQSV-UHFFFAOYSA-N
MW293.11 g/mol
LogP2.82
Rot. Bonds4

About 2-(5-bromo-2,3-difluorophenoxy)butanimidamide

2-(5-bromo-2,3-difluorophenoxy)butanimidamide (PubChem CID 107099813) has the molecular formula C10H11BrF2N2O and a molecular weight of 293.11 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)butanimidamide.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)butanimidamide
PubChem CID107099813
Molecular FormulaC10H11BrF2N2O
Molecular Weight293.11 g/mol
Exact Mass292.00
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)butanimidamide
SMILES[H]/N=C(\N)C(CC)Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C10H11BrF2N2O/c1-2-7(10(14)15)16-8-4-5(11)3-6(12)9(8)13/h3-4,7H,2H2,1H3,(H3,14,15)
InChIKeyVDTYINMOTXOQSV-UHFFFAOYSA-N
XLogP2.82
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)butanimidamide
CID 115402335
2-(5-bromo-2,3-difluorophenoxy)ethanimidamide
CID 107099812
2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide
CID 107101957
2-(2,5-difluoro-4-nitrophenoxy)butanimidamide
CID 55217610
2-(3-chloro-4-fluorophenoxy)butanimidamide
CID 63878136
2-[2-(hydroxymethyl)phenoxy]butanimidamide
CID 63653622
3-(5-bromo-2,3-difluorophenoxy)-4,4,4-trifluorobutan-2-amine
CID 107097736
4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide
CID 107099791
1-(5-bromo-2,3-difluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 107097759
2-(5-bromo-2,3-difluorophenoxy)ethanethioamide
CID 107098426
ethyl 2-(5-bromo-2-fluorophenoxy)butanoate
CID 114671561
2-(5-bromo-2,3-difluorophenoxy)-N-pentylpropanamide
CID 107098793

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)butanimidamide?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)butanimidamide (CID 107099813) is 2-(5-bromo-2,3-difluorophenoxy)butanimidamide.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)butanimidamide?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)butanimidamide is [H]/N=C(\N)C(CC)Oc1cc(Br)cc(F)c1F.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)butanimidamide?
The InChIKey is VDTYINMOTXOQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O/c1-2-7(10(14)15)16-8-4-5(11)3-6(12)9(8)13/h3-4,7H,2H2,1H3,(H3,14,15).
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)butanimidamide?
2-(5-bromo-2,3-difluorophenoxy)butanimidamide has a molecular weight of 293.11 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)butanimidamide is sourced from PubChem (CID 107099813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).