difluoro-methyl-(4-nitrophenyl)-λ4-sulfane

C7H7F2NO2S — CID 174821452

IUPACdifluoro-methyl-(4-nitrophenyl)-λ4-sulfane
SMILESCS(F)(F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7F2NO2S/c1-13(8,9)7-4-2-6(3-5-7)10(11)12/h2-5H,1H3
InChIKeyNRASZTDWHASEHE-UHFFFAOYSA-N
MW207.20 g/mol
LogP3.16
Rot. Bonds2

About difluoro-methyl-(4-nitrophenyl)-λ4-sulfane

difluoro-methyl-(4-nitrophenyl)-λ4-sulfane (PubChem CID 174821452) has the molecular formula C7H7F2NO2S and a molecular weight of 207.20 g/mol. Its IUPAC name is difluoro-methyl-(4-nitrophenyl)-λ4-sulfane.

Molecular Properties

Compound Namedifluoro-methyl-(4-nitrophenyl)-λ4-sulfane
PubChem CID174821452
Molecular FormulaC7H7F2NO2S
Molecular Weight207.20 g/mol
Exact Mass207.02
IUPAC Namedifluoro-methyl-(4-nitrophenyl)-λ4-sulfane
SMILESCS(F)(F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7F2NO2S/c1-13(8,9)7-4-2-6(3-5-7)10(11)12/h2-5H,1H3
InChIKeyNRASZTDWHASEHE-UHFFFAOYSA-N
XLogP3.16
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[methylidene-(4-nitrophenyl)-oxo-λ6-sulfanyl]methanamine
CID 91145865
4-nitrobenzenesulfonic acid
CID 160847002
cesium 4-nitrobenzenesulfonate
CID 101283504
(4-nitrophenyl)sulfonylchloranium
CID 23587686
trimethyl-(4-nitrophenyl)sulfonylphosphanium
CID 155358476
1-nitro-4-propan-2-ylsulfonylbenzene
CID 4228077
CID 59711141
CID 59711141
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
CID 70381437
CID 70381437
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
1-methyl-4-nitrobenzene tritetrafluoroborate
CID 175186870
N-bromo-N-methyl-4-nitrobenzenesulfonamide
CID 134996291

Frequently Asked Questions

What is the IUPAC name of difluoro-methyl-(4-nitrophenyl)-λ4-sulfane?
The IUPAC name of difluoro-methyl-(4-nitrophenyl)-λ4-sulfane (CID 174821452) is difluoro-methyl-(4-nitrophenyl)-λ4-sulfane.
What is the SMILES notation for difluoro-methyl-(4-nitrophenyl)-λ4-sulfane?
The canonical SMILES for difluoro-methyl-(4-nitrophenyl)-λ4-sulfane is CS(F)(F)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of difluoro-methyl-(4-nitrophenyl)-λ4-sulfane?
The InChIKey is NRASZTDWHASEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2S/c1-13(8,9)7-4-2-6(3-5-7)10(11)12/h2-5H,1H3.
What are the key properties of difluoro-methyl-(4-nitrophenyl)-λ4-sulfane?
difluoro-methyl-(4-nitrophenyl)-λ4-sulfane has a molecular weight of 207.20 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-methyl-(4-nitrophenyl)-λ4-sulfane is sourced from PubChem (CID 174821452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).