1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene

C6ClF4NO2 — CID 23234795

IUPAC1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene
SMILESO=[N+]([O-])c1c(F)c(F)c(F)c(F)c1Cl
InChIInChI=1S/C6ClF4NO2/c7-1-2(8)3(9)4(10)5(11)6(1)12(13)14
InChIKeyHNOFYHUMFLHYEZ-UHFFFAOYSA-N
MW229.52 g/mol
LogP2.80
Rot. Bonds1

About 1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene

1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene (PubChem CID 23234795) has the molecular formula C6ClF4NO2 and a molecular weight of 229.52 g/mol. Its IUPAC name is 1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene.

Molecular Properties

Compound Name1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene
PubChem CID23234795
Molecular FormulaC6ClF4NO2
Molecular Weight229.52 g/mol
Exact Mass228.96
IUPAC Name1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene
SMILESO=[N+]([O-])c1c(F)c(F)c(F)c(F)c1Cl
InChIInChI=1S/C6ClF4NO2/c7-1-2(8)3(9)4(10)5(11)6(1)12(13)14
InChIKeyHNOFYHUMFLHYEZ-UHFFFAOYSA-N
XLogP2.80
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.52
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-dichloro-2,3,5-trifluoro-6-nitrobenzene
CID 118841547
2-chloro-3,4,5-trifluoro-6-nitroaniline
CID 18929896
1-chloro-2,3,4-trifluoro-5-nitro-6-(nitromethyl)benzene
CID 23622463
2,6-dichloro-3,5-difluoro-4-nitrophenol
CID 14405001
1,2-dichloro-4-fluoro-5-methyl-3-nitrobenzene
CID 175351754
2,4-dichloro-1,5-difluoro-3-nitrobenzene
CID 10911296
1,2,4,5-tetrachloro-3-nitro-6-(trifluoromethyl)benzene
CID 20542160
1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene
CID 23234800
2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline
CID 10927558
N-(2,3,4,5-tetrafluoro-6-nitrophenyl)carbamoyl chloride
CID 135378900
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
2-chloro-4-fluoro-5-methyl-3-nitrobenzoic acid
CID 23284725

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene?
The IUPAC name of 1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene (CID 23234795) is 1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene.
What is the SMILES notation for 1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene?
The canonical SMILES for 1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene is O=[N+]([O-])c1c(F)c(F)c(F)c(F)c1Cl.
What is the InChIKey of 1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene?
The InChIKey is HNOFYHUMFLHYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6ClF4NO2/c7-1-2(8)3(9)4(10)5(11)6(1)12(13)14.
What are the key properties of 1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene?
1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene has a molecular weight of 229.52 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene is sourced from PubChem (CID 23234795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).