2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid

C10H15FN4O4 — CID 117067493

IUPAC2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid
SMILESNC(N)=NCCCOc1ccc(F)cc1.O=[N+]([O-])O
InChIInChI=1S/C10H14FN3O.HNO3/c11-8-2-4-9(5-3-8)15-7-1-6-14-10(12)13;2-1(3)4/h2-5H,1,6-7H2,(H4,12,13,14);(H,2,3,4)
InChIKeyOXYUAWPPGDWQKQ-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.52
Rot. Bonds5

About 2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid

2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid (PubChem CID 117067493) has the molecular formula C10H15FN4O4 and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid
PubChem CID117067493
Molecular FormulaC10H15FN4O4
Molecular Weight274.25 g/mol
Exact Mass274.11
IUPAC Name2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid
SMILESNC(N)=NCCCOc1ccc(F)cc1.O=[N+]([O-])O
InChIInChI=1S/C10H14FN3O.HNO3/c11-8-2-4-9(5-3-8)15-7-1-6-14-10(12)13;2-1(3)4/h2-5H,1,6-7H2,(H4,12,13,14);(H,2,3,4)
InChIKeyOXYUAWPPGDWQKQ-UHFFFAOYSA-N
XLogP0.52
TPSA137.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid
CID 117067931
2-[3-(3,4-dichlorophenoxy)propyl]guanidine;nitric acid
CID 117067498
2-[2-(4-chlorophenoxy)ethyl]guanidine;nitric acid
CID 117067467
ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide
CID 145335762
1,1-diethyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088233
4-(4-fluorophenoxy)butanamide
CID 43244704
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
4-[2-amino-2-[5-(4-fluorophenoxy)pentylimino]ethoxy]benzoic acid
CID 142221150
2-[4-(4-fluorophenyl)butyl]guanidine
CID 95440579
2-[4-(4-fluorophenoxy)butyl]-1-phenylguanidine
CID 110925211
4-(4-fluorophenoxy)butanethioamide
CID 24702572

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid?
The IUPAC name of 2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid (CID 117067493) is 2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid?
The canonical SMILES for 2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid is NC(N)=NCCCOc1ccc(F)cc1.O=[N+]([O-])O.
What is the InChIKey of 2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid?
The InChIKey is OXYUAWPPGDWQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O.HNO3/c11-8-2-4-9(5-3-8)15-7-1-6-14-10(12)13;2-1(3)4/h2-5H,1,6-7H2,(H4,12,13,14);(H,2,3,4).
What are the key properties of 2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid?
2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid has a molecular weight of 274.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid is sourced from PubChem (CID 117067493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).