CID 161044850

H2F2N2O5 — CID 161044850

IUPAC—
SMILESF.O=[N+]([O-])F.O=[N+]([O-])O
InChIInChI=1S/FNO2.FH.HNO3/c1-2(3)4;;2-1(3)4/h;1H;(H,2,3,4)
InChIKeyPKOPYCKWPNBFSS-UHFFFAOYSA-N
MW148.02 g/mol
LogP-0.05
Rot. Bonds

About CID 161044850

CID 161044850 (PubChem CID 161044850) has the molecular formula H2F2N2O5 and a molecular weight of 148.02 g/mol.

Molecular Properties

Compound NameCID 161044850
PubChem CID161044850
Molecular FormulaH2F2N2O5
Molecular Weight148.02 g/mol
Exact Mass147.99
IUPAC Name—
SMILESF.O=[N+]([O-])F.O=[N+]([O-])O
InChIInChI=1S/FNO2.FH.HNO3/c1-2(3)4;;2-1(3)4/h;1H;(H,2,3,4)
InChIKeyPKOPYCKWPNBFSS-UHFFFAOYSA-N
XLogP-0.05
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.02
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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

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CID 173277330
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CID 172786901
tris(nitric acid);hexahydrate
CID 161328835
nickel;nitric acid
CID 157159085
azane;decakis(nitric acid)
CID 173055393
tripentacontapotassium;pentakis(nitric acid)
CID 173441316
cadmium;bis(nitric acid)
CID 72833329
azane;tetrakis(nitric acid)
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Frequently Asked Questions

What is the IUPAC name of CID 161044850?
The IUPAC name of CID 161044850 (CID 161044850) is not available.
What is the SMILES notation for CID 161044850?
The canonical SMILES for CID 161044850 is F.O=[N+]([O-])F.O=[N+]([O-])O.
What is the InChIKey of CID 161044850?
The InChIKey is PKOPYCKWPNBFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/FNO2.FH.HNO3/c1-2(3)4;;2-1(3)4/h;1H;(H,2,3,4).
What are the key properties of CID 161044850?
CID 161044850 has a molecular weight of 148.02 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161044850 is sourced from PubChem (CID 161044850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).