2,6-dichloro-3,5-difluoro-4-nitrophenol

C6HCl2F2NO3 — CID 14405001

IUPAC2,6-dichloro-3,5-difluoro-4-nitrophenol
SMILESO=[N+]([O-])c1c(F)c(Cl)c(O)c(Cl)c1F
InChIInChI=1S/C6HCl2F2NO3/c7-1-3(9)5(11(13)14)4(10)2(8)6(1)12/h12H
InChIKeyFYIXXOQCUVQNFH-UHFFFAOYSA-N
MW243.98 g/mol
LogP2.89
Rot. Bonds1

About 2,6-dichloro-3,5-difluoro-4-nitrophenol

2,6-dichloro-3,5-difluoro-4-nitrophenol (PubChem CID 14405001) has the molecular formula C6HCl2F2NO3 and a molecular weight of 243.98 g/mol. Its IUPAC name is 2,6-dichloro-3,5-difluoro-4-nitrophenol.

Molecular Properties

Compound Name2,6-dichloro-3,5-difluoro-4-nitrophenol
PubChem CID14405001
Molecular FormulaC6HCl2F2NO3
Molecular Weight243.98 g/mol
Exact Mass242.93
IUPAC Name2,6-dichloro-3,5-difluoro-4-nitrophenol
SMILESO=[N+]([O-])c1c(F)c(Cl)c(O)c(Cl)c1F
InChIInChI=1S/C6HCl2F2NO3/c7-1-3(9)5(11(13)14)4(10)2(8)6(1)12/h12H
InChIKeyFYIXXOQCUVQNFH-UHFFFAOYSA-N
XLogP2.89
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.98
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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
5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine
CID 175487013
1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 23234795
4-chloro-5-fluoro-3-nitrobenzene-1,2-diol
CID 88756964
4-chloro-2,5-difluoro-3-methyl-6-nitrobenzoic acid
CID 139696643
2-chloro-3,4,5-trifluoro-6-nitroaniline
CID 18929896
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
1,3,5-trifluoro-2-methyl-4,6-dinitrobenzene
CID 53429897
4-chloro-3,5-difluoro-N-methyl-2-nitroaniline
CID 122497392
2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline
CID 10927558

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3,5-difluoro-4-nitrophenol?
The IUPAC name of 2,6-dichloro-3,5-difluoro-4-nitrophenol (CID 14405001) is 2,6-dichloro-3,5-difluoro-4-nitrophenol.
What is the SMILES notation for 2,6-dichloro-3,5-difluoro-4-nitrophenol?
The canonical SMILES for 2,6-dichloro-3,5-difluoro-4-nitrophenol is O=[N+]([O-])c1c(F)c(Cl)c(O)c(Cl)c1F.
What is the InChIKey of 2,6-dichloro-3,5-difluoro-4-nitrophenol?
The InChIKey is FYIXXOQCUVQNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl2F2NO3/c7-1-3(9)5(11(13)14)4(10)2(8)6(1)12/h12H.
What are the key properties of 2,6-dichloro-3,5-difluoro-4-nitrophenol?
2,6-dichloro-3,5-difluoro-4-nitrophenol has a molecular weight of 243.98 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3,5-difluoro-4-nitrophenol is sourced from PubChem (CID 14405001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).