1-(2,2-difluoroethyl)-2-nitrobenzene

C8H7F2NO2 — CID 142566464

IUPAC1-(2,2-difluoroethyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1CC(F)F
InChIInChI=1S/C8H7F2NO2/c9-8(10)5-6-3-1-2-4-7(6)11(12)13/h1-4,8H,5H2
InChIKeyHEZOPFYBXHORNL-UHFFFAOYSA-N
MW187.15 g/mol
LogP2.40
Rot. Bonds3

About 1-(2,2-difluoroethyl)-2-nitrobenzene

1-(2,2-difluoroethyl)-2-nitrobenzene (PubChem CID 142566464) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-nitrobenzene.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-nitrobenzene
PubChem CID142566464
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name1-(2,2-difluoroethyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1CC(F)F
InChIInChI=1S/C8H7F2NO2/c9-8(10)5-6-3-1-2-4-7(6)11(12)13/h1-4,8H,5H2
InChIKeyHEZOPFYBXHORNL-UHFFFAOYSA-N
XLogP2.40
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 52.40
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-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-(2,2-dimethoxyethyl)-2-nitrobenzene
CID 10330783
1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine
CID 65017800
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
2-amino-3-(2-nitrophenyl)propanamide
CID 64990482
(2S)-2-azaniumyl-3-(2-nitrophenyl)propanoate
CID 6992717
(2-nitrophenyl)methanol
CID 11923
(2-nitrophenyl)methyl thiohypofluorite
CID 156702153
3-(2-nitrophenyl)propan-1-amine
CID 15715793
2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475379
1-(2-chloro-3-methoxypropyl)-2-nitrobenzene
CID 63205567
4-[1-bromo-2-(2-nitrophenyl)ethyl]-1,2-difluorobenzene
CID 63018155

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-nitrobenzene?
The IUPAC name of 1-(2,2-difluoroethyl)-2-nitrobenzene (CID 142566464) is 1-(2,2-difluoroethyl)-2-nitrobenzene.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-nitrobenzene?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-nitrobenzene is O=[N+]([O-])c1ccccc1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-nitrobenzene?
The InChIKey is HEZOPFYBXHORNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c9-8(10)5-6-3-1-2-4-7(6)11(12)13/h1-4,8H,5H2.
What are the key properties of 1-(2,2-difluoroethyl)-2-nitrobenzene?
1-(2,2-difluoroethyl)-2-nitrobenzene has a molecular weight of 187.15 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-nitrobenzene is sourced from PubChem (CID 142566464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).