2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline

C10H6F9NO2 — CID 14823054

IUPAC2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline
SMILESNc1ccc(OC(F)(F)C(F)OC(F)(F)C(F)(F)F)cc1F
InChIInChI=1S/C10H6F9NO2/c11-5-3-4(1-2-6(5)20)21-8(13,14)7(12)22-10(18,19)9(15,16)17/h1-3,7H,20H2
InChIKeyVRRXKSGPHVWLQX-UHFFFAOYSA-N
MW343.15 g/mol
LogP3.85
Rot. Bonds5

About 2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline

2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline (PubChem CID 14823054) has the molecular formula C10H6F9NO2 and a molecular weight of 343.15 g/mol. Its IUPAC name is 2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline.

Molecular Properties

Compound Name2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline
PubChem CID14823054
Molecular FormulaC10H6F9NO2
Molecular Weight343.15 g/mol
Exact Mass343.03
IUPAC Name2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline
SMILESNc1ccc(OC(F)(F)C(F)OC(F)(F)C(F)(F)F)cc1F
InChIInChI=1S/C10H6F9NO2/c11-5-3-4(1-2-6(5)20)21-8(13,14)7(12)22-10(18,19)9(15,16)17/h1-3,7H,20H2
InChIKeyVRRXKSGPHVWLQX-UHFFFAOYSA-N
XLogP3.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.15
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline?
The IUPAC name of 2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline (CID 14823054) is 2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline.
What is the SMILES notation for 2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline?
The canonical SMILES for 2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline is Nc1ccc(OC(F)(F)C(F)OC(F)(F)C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline?
The InChIKey is VRRXKSGPHVWLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F9NO2/c11-5-3-4(1-2-6(5)20)21-8(13,14)7(12)22-10(18,19)9(15,16)17/h1-3,7H,20H2.
What are the key properties of 2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline?
2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline has a molecular weight of 343.15 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]aniline is sourced from PubChem (CID 14823054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).