1-ethenyl-2,4-difluoro-5-nitrobenzene

C8H5F2NO2 — CID 15856683

IUPAC1-ethenyl-2,4-difluoro-5-nitrobenzene
SMILESC=Cc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C8H5F2NO2/c1-2-5-3-8(11(12)13)7(10)4-6(5)9/h2-4H,1H2
InChIKeyRFZABVVCVSPPEP-UHFFFAOYSA-N
MW185.13 g/mol
LogP2.52
Rot. Bonds2

About 1-ethenyl-2,4-difluoro-5-nitrobenzene

1-ethenyl-2,4-difluoro-5-nitrobenzene (PubChem CID 15856683) has the molecular formula C8H5F2NO2 and a molecular weight of 185.13 g/mol. Its IUPAC name is 1-ethenyl-2,4-difluoro-5-nitrobenzene.

Molecular Properties

Compound Name1-ethenyl-2,4-difluoro-5-nitrobenzene
PubChem CID15856683
Molecular FormulaC8H5F2NO2
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Name1-ethenyl-2,4-difluoro-5-nitrobenzene
SMILESC=Cc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C8H5F2NO2/c1-2-5-3-8(11(12)13)7(10)4-6(5)9/h2-4H,1H2
InChIKeyRFZABVVCVSPPEP-UHFFFAOYSA-N
XLogP2.52
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 52.52
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

1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene
CID 59452963
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
2,4-difluoro-5-nitrobenzenethiol
CID 90220196
(E)-3-(2,5-difluoro-4-nitrophenyl)prop-2-enenitrile
CID 142393352
methyl 4-(2,4-difluoro-5-nitrophenyl)but-3-enoate
CID 170501542
ethyl 3-(2,4-difluoro-5-nitrophenyl)prop-2-enoate
CID 169480851
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
(2,4-difluoro-5-nitrophenyl)methanol
CID 43753541
2,4-difluoro-5-nitrobenzenediazonium
CID 82972698
2-fluoro-5-nitro-4-(trifluoromethyl)benzaldehyde
CID 171015249
3-ethenyl-4-nitrophenol
CID 18352402
1,5-difluoro-2-methylsulfonyl-4-nitrobenzene
CID 152640256

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,4-difluoro-5-nitrobenzene?
The IUPAC name of 1-ethenyl-2,4-difluoro-5-nitrobenzene (CID 15856683) is 1-ethenyl-2,4-difluoro-5-nitrobenzene.
What is the SMILES notation for 1-ethenyl-2,4-difluoro-5-nitrobenzene?
The canonical SMILES for 1-ethenyl-2,4-difluoro-5-nitrobenzene is C=Cc1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of 1-ethenyl-2,4-difluoro-5-nitrobenzene?
The InChIKey is RFZABVVCVSPPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO2/c1-2-5-3-8(11(12)13)7(10)4-6(5)9/h2-4H,1H2.
What are the key properties of 1-ethenyl-2,4-difluoro-5-nitrobenzene?
1-ethenyl-2,4-difluoro-5-nitrobenzene has a molecular weight of 185.13 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,4-difluoro-5-nitrobenzene is sourced from PubChem (CID 15856683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).