1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene

C8H4ClF4NO3 — CID 12030755

IUPAC1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC(F)(F)C(F)(F)Cl)cc1
InChIInChI=1S/C8H4ClF4NO3/c9-7(10,11)8(12,13)17-6-3-1-5(2-4-6)14(15)16/h1-4H
InChIKeyYVUAXQWZLSALRC-UHFFFAOYSA-N
MW273.57 g/mol
LogP3.40
Rot. Bonds4

About 1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene

1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene (PubChem CID 12030755) has the molecular formula C8H4ClF4NO3 and a molecular weight of 273.57 g/mol. Its IUPAC name is 1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene.

Molecular Properties

Compound Name1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene
PubChem CID12030755
Molecular FormulaC8H4ClF4NO3
Molecular Weight273.57 g/mol
Exact Mass272.98
IUPAC Name1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC(F)(F)C(F)(F)Cl)cc1
InChIInChI=1S/C8H4ClF4NO3/c9-7(10,11)8(12,13)17-6-3-1-5(2-4-6)14(15)16/h1-4H
InChIKeyYVUAXQWZLSALRC-UHFFFAOYSA-N
XLogP3.40
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.57
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-2,2-difluoroethoxy)-4-nitrobenzene
CID 134985893
1-[1-[1,1-bis(4-nitrophenoxy)ethoxy]-1-(4-nitrophenoxy)ethoxy]-4-nitrobenzene
CID 20979717
1-(1,1-diiodoethoxy)-4-nitrobenzene
CID 163767908
1-(chloroamino)oxy-4-nitrobenzene
CID 143366644
chloromethane;(4-nitrophenyl) formate
CID 143083318
1-nitro-4-(1,1,2,2,2-pentafluoroethoxysulfanyl)benzene
CID 171061621
CID 153008841
CID 153008841
1-nitro-4-(trifluoromethoxysulfanyl)benzene
CID 21203462
1-[1-hydroxy-1-(4-nitrophenoxy)propoxy]-1-(4-nitrophenoxy)propan-1-ol
CID 88789772
N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline
CID 67519187
1-nitro-4-(trifluoromethyl)benzene;sulfuryl dichloride
CID 174710355
1-(2,2-dichloroethenoxy)-4-nitrobenzene
CID 172715409

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene?
The IUPAC name of 1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene (CID 12030755) is 1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene.
What is the SMILES notation for 1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene?
The canonical SMILES for 1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene is O=[N+]([O-])c1ccc(OC(F)(F)C(F)(F)Cl)cc1.
What is the InChIKey of 1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene?
The InChIKey is YVUAXQWZLSALRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF4NO3/c9-7(10,11)8(12,13)17-6-3-1-5(2-4-6)14(15)16/h1-4H.
What are the key properties of 1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene?
1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene has a molecular weight of 273.57 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene is sourced from PubChem (CID 12030755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).