2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline

C8H6Cl2F3NO — CID 44717352

IUPAC2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline
SMILESNc1cc(OC(F)(F)C(F)Cl)ccc1Cl
InChIInChI=1S/C8H6Cl2F3NO/c9-5-2-1-4(3-6(5)14)15-8(12,13)7(10)11/h1-3,7H,14H2
InChIKeyIPNPCUVVUHAXQV-UHFFFAOYSA-N
MW260.04 g/mol
LogP3.43
Rot. Bonds3

About 2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline

2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline (PubChem CID 44717352) has the molecular formula C8H6Cl2F3NO and a molecular weight of 260.04 g/mol. Its IUPAC name is 2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline.

Molecular Properties

Compound Name2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline
PubChem CID44717352
Molecular FormulaC8H6Cl2F3NO
Molecular Weight260.04 g/mol
Exact Mass258.98
IUPAC Name2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline
SMILESNc1cc(OC(F)(F)C(F)Cl)ccc1Cl
InChIInChI=1S/C8H6Cl2F3NO/c9-5-2-1-4(3-6(5)14)15-8(12,13)7(10)11/h1-3,7H,14H2
InChIKeyIPNPCUVVUHAXQV-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[4-(2-chloro-1,1,2-trifluoroethoxy)phenoxy]aniline
CID 70464458
4-[4-(2-chloro-1,1,2-trifluoroethoxy)phenoxy]aniline
CID 71414939
4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol
CID 26596565
1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 86066300
2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol
CID 13228506
2-[[2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)anilino]methylidene]propanedinitrile
CID 168542734
1-(2-chloro-1,1,2-trifluoroethoxy)-4-(4-methylphenyl)benzene
CID 20668720
2,4-bis(2-chloro-1,1,2-trifluoroethoxy)benzoyl chloride
CID 20530643
2-chloro-5-propan-2-yloxyaniline
CID 39237829
ethyl 5-(2-chloro-1,1,2-trifluoroethoxy)-2-methylbenzoate
CID 59543266
methyl 3-amino-1-[2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-4-cyanopyrrole-2-carboxylate
CID 168547399
(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 46892159

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline?
The IUPAC name of 2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline (CID 44717352) is 2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline.
What is the SMILES notation for 2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline?
The canonical SMILES for 2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline is Nc1cc(OC(F)(F)C(F)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline?
The InChIKey is IPNPCUVVUHAXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3NO/c9-5-2-1-4(3-6(5)14)15-8(12,13)7(10)11/h1-3,7H,14H2.
What are the key properties of 2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline?
2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline has a molecular weight of 260.04 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline is sourced from PubChem (CID 44717352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).