1,2-difluoro-4-(2-nitroethenyl)benzene

C8H5F2NO2 — CID 66801984

IUPAC1,2-difluoro-4-(2-nitroethenyl)benzene
SMILESO=[N+]([O-])C=Cc1ccc(F)c(F)c1
InChIInChI=1S/C8H5F2NO2/c9-7-2-1-6(5-8(7)10)3-4-11(12)13/h1-5H
InChIKeyMFUFIEVSMSIBOA-UHFFFAOYSA-N
MW185.13 g/mol
LogP2.21
Rot. Bonds2

About 1,2-difluoro-4-(2-nitroethenyl)benzene

1,2-difluoro-4-(2-nitroethenyl)benzene (PubChem CID 66801984) has the molecular formula C8H5F2NO2 and a molecular weight of 185.13 g/mol. Its IUPAC name is 1,2-difluoro-4-(2-nitroethenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(2-nitroethenyl)benzene
PubChem CID66801984
Molecular FormulaC8H5F2NO2
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Name1,2-difluoro-4-(2-nitroethenyl)benzene
SMILESO=[N+]([O-])C=Cc1ccc(F)c(F)c1
InChIInChI=1S/C8H5F2NO2/c9-7-2-1-6(5-8(7)10)3-4-11(12)13/h1-5H
InChIKeyMFUFIEVSMSIBOA-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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-fluoro-2-nitro-4-[(E)-2-nitroethenyl]benzene
CID 79015854
2-chloro-1-fluoro-4-[(E)-2-nitroethenyl]benzene
CID 66807417
4-[(Z)-2-nitroethenyl]phenol
CID 15311368
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
3-(2-nitroethenyl)benzaldehyde
CID 173163142
1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
CID 709688
1-N,1-N,2-N,2-N-tetramethyl-4-[(E)-2-nitroethenyl]benzene-1,2-diamine
CID 139716082
[(E)-2-nitroethenyl]benzene
CID 5284459
2-nitroethenylbenzene
CID 7626
1-[(E)-2-nitroethenyl]-4-[4-[(E)-2-nitroethenyl]phenyl]sulfonylbenzene
CID 173225544
1-(2-nitroethenyl)-4-[4-(2-nitroethenyl)phenyl]sulfonylbenzene
CID 87998421
5-(2-nitroethenyl)-1H-indole
CID 54465016

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(2-nitroethenyl)benzene?
The IUPAC name of 1,2-difluoro-4-(2-nitroethenyl)benzene (CID 66801984) is 1,2-difluoro-4-(2-nitroethenyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(2-nitroethenyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(2-nitroethenyl)benzene is O=[N+]([O-])C=Cc1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-(2-nitroethenyl)benzene?
The InChIKey is MFUFIEVSMSIBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO2/c9-7-2-1-6(5-8(7)10)3-4-11(12)13/h1-5H.
What are the key properties of 1,2-difluoro-4-(2-nitroethenyl)benzene?
1,2-difluoro-4-(2-nitroethenyl)benzene has a molecular weight of 185.13 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(2-nitroethenyl)benzene is sourced from PubChem (CID 66801984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).