[fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite

C8H8F2NO5P — CID 174548246

IUPAC[fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite
SMILESCc1ccc(CP(=O)(OF)OF)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8F2NO5P/c1-6-2-3-7(8(4-6)11(12)13)5-17(14,15-9)16-10/h2-4H,5H2,1H3
InChIKeyRAVUFGVGZDIBNL-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.40
Rot. Bonds5

About [fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite

[fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite (PubChem CID 174548246) has the molecular formula C8H8F2NO5P and a molecular weight of 267.12 g/mol. Its IUPAC name is [fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite.

Molecular Properties

Compound Name[fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite
PubChem CID174548246
Molecular FormulaC8H8F2NO5P
Molecular Weight267.12 g/mol
Exact Mass267.01
IUPAC Name[fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite
SMILESCc1ccc(CP(=O)(OF)OF)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8F2NO5P/c1-6-2-3-7(8(4-6)11(12)13)5-17(14,15-9)16-10/h2-4H,5H2,1H3
InChIKeyRAVUFGVGZDIBNL-UHFFFAOYSA-N
XLogP3.40
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 89213889
CID 89213889
N,N-dimethyl-1-(4-methyl-2-nitrophenyl)methanamine
CID 174777427
2-(4-methyl-2-nitrophenyl)acetonitrile
CID 24729525
1,2,3,4,5-pentafluoro-6-[(4-methyl-2-nitrophenyl)methoxymethyl]benzene
CID 155580354
4-methyl-1-(3-methylbut-2-enyl)-2-nitrobenzene
CID 11264197
1,4-dimethyl-2-nitrobenzene
CID 20849377
[4-(deuteriomethyl)-2-nitrophenyl]methanol
CID 58232059
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene
CID 150905300
4-methyl-2-nitrophenolate
CID 6989903
[difluoro-(4-methyl-2-nitrophenyl)methyl]phosphonic acid
CID 11666169
sodium 4-methyl-2-nitrophenolate
CID 12989561

Frequently Asked Questions

What is the IUPAC name of [fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite?
The IUPAC name of [fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite (CID 174548246) is [fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite.
What is the SMILES notation for [fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite?
The canonical SMILES for [fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite is Cc1ccc(CP(=O)(OF)OF)c([N+](=O)[O-])c1.
What is the InChIKey of [fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite?
The InChIKey is RAVUFGVGZDIBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2NO5P/c1-6-2-3-7(8(4-6)11(12)13)5-17(14,15-9)16-10/h2-4H,5H2,1H3.
What are the key properties of [fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite?
[fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite has a molecular weight of 267.12 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [fluorooxy-[(4-methyl-2-nitrophenyl)methyl]phosphoryl] hypofluorite is sourced from PubChem (CID 174548246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).