1-(1-fluoroethenyl)-4-nitrobenzene

C8H6FNO2 — CID 11205987

IUPAC1-(1-fluoroethenyl)-4-nitrobenzene
SMILESC=C(F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H6FNO2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-5H,1H2
InChIKeySDSXLANZDRBZSX-UHFFFAOYSA-N
MW167.14 g/mol
LogP2.54
Rot. Bonds2

About 1-(1-fluoroethenyl)-4-nitrobenzene

1-(1-fluoroethenyl)-4-nitrobenzene (PubChem CID 11205987) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 1-(1-fluoroethenyl)-4-nitrobenzene.

Molecular Properties

Compound Name1-(1-fluoroethenyl)-4-nitrobenzene
PubChem CID11205987
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name1-(1-fluoroethenyl)-4-nitrobenzene
SMILESC=C(F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H6FNO2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-5H,1H2
InChIKeySDSXLANZDRBZSX-UHFFFAOYSA-N
XLogP2.54
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 52.54
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-(4-nitrophenyl)ethenethiol
CID 175251308
1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene
CID 10387830
4-nitrobenzoate;vanadium
CID 172712620
1-nitro-4-(1,2,2-triiodoethenyl)benzene
CID 3671977
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
cesium;hydride;4-nitrobenzoic acid
CID 174438488
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
potassium;hydride;4-nitrobenzenecarbothioic S-acid
CID 173400716
4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide
CID 3644103
1,4-dinitrobenzene;nitrous acid
CID 174371180
4-nitrophenol
CID 88714583
(2R)-2,3-dimethyl-1-(4-nitrophenyl)but-3-en-1-one
CID 125484709

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethenyl)-4-nitrobenzene?
The IUPAC name of 1-(1-fluoroethenyl)-4-nitrobenzene (CID 11205987) is 1-(1-fluoroethenyl)-4-nitrobenzene.
What is the SMILES notation for 1-(1-fluoroethenyl)-4-nitrobenzene?
The canonical SMILES for 1-(1-fluoroethenyl)-4-nitrobenzene is C=C(F)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(1-fluoroethenyl)-4-nitrobenzene?
The InChIKey is SDSXLANZDRBZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-5H,1H2.
What are the key properties of 1-(1-fluoroethenyl)-4-nitrobenzene?
1-(1-fluoroethenyl)-4-nitrobenzene has a molecular weight of 167.14 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethenyl)-4-nitrobenzene is sourced from PubChem (CID 11205987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).