difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane

C6H4F2NO3PS — CID 165355149

IUPACdifluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane
SMILESO=[N+]([O-])c1ccccc1OP(F)(F)=S
InChIInChI=1S/C6H4F2NO3PS/c7-13(8,14)12-6-4-2-1-3-5(6)9(10)11/h1-4H
InChIKeyANCSYGIKXBWXMW-UHFFFAOYSA-N
MW239.14 g/mol
LogP3.14
Rot. Bonds3

About difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane

difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane (PubChem CID 165355149) has the molecular formula C6H4F2NO3PS and a molecular weight of 239.14 g/mol. Its IUPAC name is difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedifluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane
PubChem CID165355149
Molecular FormulaC6H4F2NO3PS
Molecular Weight239.14 g/mol
Exact Mass238.96
IUPAC Namedifluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane
SMILESO=[N+]([O-])c1ccccc1OP(F)(F)=S
InChIInChI=1S/C6H4F2NO3PS/c7-13(8,14)12-6-4-2-1-3-5(6)9(10)11/h1-4H
InChIKeyANCSYGIKXBWXMW-UHFFFAOYSA-N
XLogP3.14
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl (2-nitrophenyl) hydrogen phosphate
CID 131852175
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
[methyl-(2-nitrophenoxy)phosphoryl] dihydrogen phosphate
CID 101078383
1-[ethoxy(methyl)phosphoryl]oxy-2-nitrobenzene
CID 87411362
CID 174580034
CID 174580034
ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate
CID 66973952
1-[ethoxy-(2-nitrophenoxy)phosphoryl]-2-ethylbenzene
CID 71386557
[4-(2-nitrophenoxy)phenyl]phosphonic acid
CID 18506154
1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene
CID 131855225
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol
CID 141028739
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994

Frequently Asked Questions

What is the IUPAC name of difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane (CID 165355149) is difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane is O=[N+]([O-])c1ccccc1OP(F)(F)=S.
What is the InChIKey of difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is ANCSYGIKXBWXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2NO3PS/c7-13(8,14)12-6-4-2-1-3-5(6)9(10)11/h1-4H.
What are the key properties of difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane?
difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 239.14 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 165355149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).