[dichloro(fluoro)methoxy] nitrate

CCl2FNO4 — CID 522385

IUPAC[dichloro(fluoro)methoxy] nitrate
SMILESO=[N+]([O-])OOC(F)(Cl)Cl
InChIInChI=1S/CCl2FNO4/c2-1(3,4)8-9-5(6)7
InChIKeyLPFYGGDPVXNQEH-UHFFFAOYSA-N
MW179.92 g/mol
LogP1.18
Rot. Bonds3

About [dichloro(fluoro)methoxy] nitrate

[dichloro(fluoro)methoxy] nitrate (PubChem CID 522385) has the molecular formula CCl2FNO4 and a molecular weight of 179.92 g/mol. Its IUPAC name is [dichloro(fluoro)methoxy] nitrate.

Molecular Properties

Compound Name[dichloro(fluoro)methoxy] nitrate
PubChem CID522385
Molecular FormulaCCl2FNO4
Molecular Weight179.92 g/mol
Exact Mass178.92
IUPAC Name[dichloro(fluoro)methoxy] nitrate
SMILESO=[N+]([O-])OOC(F)(Cl)Cl
InChIInChI=1S/CCl2FNO4/c2-1(3,4)8-9-5(6)7
InChIKeyLPFYGGDPVXNQEH-UHFFFAOYSA-N
XLogP1.18
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.92
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

trichloromethoxy nitrate
CID 13380264
2-[chloro-bis(2-fluoro-2,2-dinitroethoxy)methoxy]-1-fluoro-1,1-dinitroethane
CID 14047294
1,2-dichloro-1,1,2-trifluoro-2-nitroethane
CID 23278501
1-chloro-1,1-difluoro-2-nitroethane
CID 13345479
chloromethoxy nitrate
CID 55302221
chloro nitrate
CID 174442535
2-[chloro(difluoro)methyl]-2-nitropropane-1,3-diol
CID 14071414
(1-hydroxy-2-methylbut-3-en-2-yl)oxy nitrate
CID 177417708
1-fluoro-1-nitroethanol
CID 19069852
sulfane;trichloro(nitro)methane
CID 158062482
chloro nitrate;stibane
CID 174852416
azanium;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;nitrate
CID 86750628

Frequently Asked Questions

What is the IUPAC name of [dichloro(fluoro)methoxy] nitrate?
The IUPAC name of [dichloro(fluoro)methoxy] nitrate (CID 522385) is [dichloro(fluoro)methoxy] nitrate.
What is the SMILES notation for [dichloro(fluoro)methoxy] nitrate?
The canonical SMILES for [dichloro(fluoro)methoxy] nitrate is O=[N+]([O-])OOC(F)(Cl)Cl.
What is the InChIKey of [dichloro(fluoro)methoxy] nitrate?
The InChIKey is LPFYGGDPVXNQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl2FNO4/c2-1(3,4)8-9-5(6)7.
What are the key properties of [dichloro(fluoro)methoxy] nitrate?
[dichloro(fluoro)methoxy] nitrate has a molecular weight of 179.92 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro(fluoro)methoxy] nitrate is sourced from PubChem (CID 522385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).