1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene

C9H7F2NO3 — CID 118269421

IUPAC1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene
SMILESC=Cc1cccc(OC(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C9H7F2NO3/c1-2-6-4-3-5-7(15-9(10)11)8(6)12(13)14/h2-5,9H,1H2
InChIKeyRJFBCXBDBSMTRP-UHFFFAOYSA-N
MW215.16 g/mol
LogP2.84
Rot. Bonds4

About 1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene

1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene (PubChem CID 118269421) has the molecular formula C9H7F2NO3 and a molecular weight of 215.16 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene
PubChem CID118269421
Molecular FormulaC9H7F2NO3
Molecular Weight215.16 g/mol
Exact Mass215.04
IUPAC Name1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene
SMILESC=Cc1cccc(OC(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C9H7F2NO3/c1-2-6-4-3-5-7(15-9(10)11)8(6)12(13)14/h2-5,9H,1H2
InChIKeyRJFBCXBDBSMTRP-UHFFFAOYSA-N
XLogP2.84
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(difluoromethoxy)-2-nitrophenyl]propanal
CID 134639737
3-bromo-1-[3-(difluoromethoxy)-2-nitrophenyl]propan-1-one
CID 134624666
CID 162601038
CID 162601038
3-(difluoromethoxy)-5-methyl-2-nitrobenzaldehyde
CID 171032274
1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene
CID 76948376
1-fluoro-2-nitro-3-propan-2-yloxybenzene
CID 53255569
3-ethenyl-N-ethyl-2-nitroaniline
CID 147627108
1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene
CID 131855225
2-[6-(difluoromethoxy)-3-formyl-2-nitrophenyl]-2-hydroxyacetic acid
CID 171027691
1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene
CID 112828246
1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol
CID 141028739
1-[1-(2,3-dinitrophenoxy)ethoxy]-2,3-dinitrobenzene
CID 154083486

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene?
The IUPAC name of 1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene (CID 118269421) is 1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene?
The canonical SMILES for 1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene is C=Cc1cccc(OC(F)F)c1[N+](=O)[O-].
What is the InChIKey of 1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene?
The InChIKey is RJFBCXBDBSMTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO3/c1-2-6-4-3-5-7(15-9(10)11)8(6)12(13)14/h2-5,9H,1H2.
What are the key properties of 1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene?
1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene has a molecular weight of 215.16 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene is sourced from PubChem (CID 118269421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).