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

C10H15FN4O5 — CID 117067931

IUPAC2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid
SMILESNC(N)=NOCCCOc1ccc(F)cc1.O=[N+]([O-])O
InChIInChI=1S/C10H14FN3O2.HNO3/c11-8-2-4-9(5-3-8)15-6-1-7-16-14-10(12)13;2-1(3)4/h2-5H,1,6-7H2,(H4,12,13,14);(H,2,3,4)
InChIKeyDFRXTPRLXSAIJE-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.45
Rot. Bonds6

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

2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid (PubChem CID 117067931) has the molecular formula C10H15FN4O5 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid
PubChem CID117067931
Molecular FormulaC10H15FN4O5
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid
SMILESNC(N)=NOCCCOc1ccc(F)cc1.O=[N+]([O-])O
InChIInChI=1S/C10H14FN3O2.HNO3/c11-8-2-4-9(5-3-8)15-6-1-7-16-14-10(12)13;2-1(3)4/h2-5H,1,6-7H2,(H4,12,13,14);(H,2,3,4)
InChIKeyDFRXTPRLXSAIJE-UHFFFAOYSA-N
XLogP0.45
TPSA146.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)propyl]guanidine;nitric acid
CID 117067493
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
4-(4-fluorophenoxy)butanamide
CID 43244704
2-[2-(4-chlorophenoxy)ethyl]guanidine;nitric acid
CID 117067467
4-(4-fluorophenoxy)butanethioamide
CID 24702572
N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591183
2-[3-[4-(4-fluorophenyl)phenoxy]propoxy]-1,3-dinitrobenzene
CID 22360131
1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 39038188
5-(4-fluorophenoxy)-2-oxopentanoic acid
CID 57302572
6-(4-fluorophenoxy)hexan-2-one
CID 43793627
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
ethane;N'-[3-(4-fluorophenoxy)propyl]ethanimidamide
CID 145335762

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid?
The IUPAC name of 2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid (CID 117067931) is 2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid?
The canonical SMILES for 2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid is NC(N)=NOCCCOc1ccc(F)cc1.O=[N+]([O-])O.
What is the InChIKey of 2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid?
The InChIKey is DFRXTPRLXSAIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2.HNO3/c11-8-2-4-9(5-3-8)15-6-1-7-16-14-10(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)propoxy]guanidine;nitric acid?
2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid has a molecular weight of 290.25 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid is sourced from PubChem (CID 117067931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).