N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline

C8H5Cl2F4NO — CID 154268087

IUPACN,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline
SMILESCCOc1c(F)c(F)c(N(Cl)Cl)c(F)c1F
InChIInChI=1S/C8H5Cl2F4NO/c1-2-16-8-5(13)3(11)7(15(9)10)4(12)6(8)14/h2H2,1H3
InChIKeyFTADHYSRGXMGOO-UHFFFAOYSA-N
MW278.03 g/mol
LogP3.76
Rot. Bonds3

About N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline

N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline (PubChem CID 154268087) has the molecular formula C8H5Cl2F4NO and a molecular weight of 278.03 g/mol. Its IUPAC name is N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound NameN,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline
PubChem CID154268087
Molecular FormulaC8H5Cl2F4NO
Molecular Weight278.03 g/mol
Exact Mass276.97
IUPAC NameN,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline
SMILESCCOc1c(F)c(F)c(N(Cl)Cl)c(F)c1F
InChIInChI=1S/C8H5Cl2F4NO/c1-2-16-8-5(13)3(11)7(15(9)10)4(12)6(8)14/h2H2,1H3
InChIKeyFTADHYSRGXMGOO-UHFFFAOYSA-N
XLogP3.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.03
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene
CID 12954352
ethane;1-ethoxy-2,3,6-trifluoro-4,5-dimethylbenzene
CID 142106522
4-ethoxy-3,5,6-trifluorobenzene-1,2-dicarbonitrile
CID 19352145
4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonic acid
CID 15064550
2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide
CID 155578405
4-ethoxy-2,3,5-trifluorophenol
CID 174599301
(4-ethoxy-2,3,5,6-tetrafluorophenyl) [(4-ethoxy-2,3,5,6-tetrafluorophenoxy)carbonyl-diphenylplumbyl]formate
CID 135049361
1-ethoxy-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 91872104
2-ethoxy-3-fluoro-1,4-diiodobenzene
CID 118852860
CID 174673959
CID 174673959
1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene
CID 2833797
ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane
CID 90175042

Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline?
The IUPAC name of N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline (CID 154268087) is N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline is CCOc1c(F)c(F)c(N(Cl)Cl)c(F)c1F.
What is the InChIKey of N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline?
The InChIKey is FTADHYSRGXMGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F4NO/c1-2-16-8-5(13)3(11)7(15(9)10)4(12)6(8)14/h2H2,1H3.
What are the key properties of N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline?
N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline has a molecular weight of 278.03 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-4-ethoxy-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 154268087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).