2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine

C9H9BrF2N4O — CID 76872439

IUPAC2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C9H9BrF2N4O/c10-6-1-2-7(17-8(11)12)5(3-6)4-15-16-9(13)14/h1-4,8H,(H4,13,14,16)
InChIKeyWYFXTHMXMXTSJX-UHFFFAOYSA-N
MW307.10 g/mol
LogP1.66
Rot. Bonds4

About 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine

2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine (PubChem CID 76872439) has the molecular formula C9H9BrF2N4O and a molecular weight of 307.10 g/mol. Its IUPAC name is 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine
PubChem CID76872439
Molecular FormulaC9H9BrF2N4O
Molecular Weight307.10 g/mol
Exact Mass305.99
IUPAC Name2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C9H9BrF2N4O/c10-6-1-2-7(17-8(11)12)5(3-6)4-15-16-9(13)14/h1-4,8H,(H4,13,14,16)
InChIKeyWYFXTHMXMXTSJX-UHFFFAOYSA-N
XLogP1.66
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.10
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-bromo-2-(3-cyanopropoxy)phenyl]methylideneamino]guanidine
CID 168592171
2-[(5-bromo-2-pentoxyphenyl)methylideneamino]guanidine
CID 168590980
2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine
CID 16728610
2-[(E)-[5-bromo-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 16728613
2-[[5-bromo-2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168590749
ethyl 2-[4-bromo-2-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 168590773
4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 9070685
4-[5-bromo-2-(difluoromethoxy)phenyl]but-3-en-1-amine
CID 76997310
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylidene]butan-1-amine
CID 79321875
2-[[4-(difluoromethoxy)phenyl]methylideneamino]guanidine
CID 2341379
N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 3581077
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
CID 110538562

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine (CID 76872439) is 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1cc(Br)ccc1OC(F)F.
What is the InChIKey of 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine?
The InChIKey is WYFXTHMXMXTSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N4O/c10-6-1-2-7(17-8(11)12)5(3-6)4-15-16-9(13)14/h1-4,8H,(H4,13,14,16).
What are the key properties of 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine?
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine has a molecular weight of 307.10 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 76872439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).