4-(1,1,2,2-tetrafluoroethoxy)aniline

C8H7F4NO — CID 2776630

IUPAC4-(1,1,2,2-tetrafluoroethoxy)aniline
SMILESNc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C8H7F4NO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H,13H2
InChIKeyZQQSVTYLRGGCEI-UHFFFAOYSA-N
MW209.14 g/mol
LogP2.51
Rot. Bonds3

About 4-(1,1,2,2-tetrafluoroethoxy)aniline

4-(1,1,2,2-tetrafluoroethoxy)aniline (PubChem CID 2776630) has the molecular formula C8H7F4NO and a molecular weight of 209.14 g/mol. Its IUPAC name is 4-(1,1,2,2-tetrafluoroethoxy)aniline.

Molecular Properties

Compound Name4-(1,1,2,2-tetrafluoroethoxy)aniline
PubChem CID2776630
Molecular FormulaC8H7F4NO
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name4-(1,1,2,2-tetrafluoroethoxy)aniline
SMILESNc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C8H7F4NO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H,13H2
InChIKeyZQQSVTYLRGGCEI-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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 4-(1,1,2,2-tetrafluoroethoxy)aniline?
The IUPAC name of 4-(1,1,2,2-tetrafluoroethoxy)aniline (CID 2776630) is 4-(1,1,2,2-tetrafluoroethoxy)aniline.
What is the SMILES notation for 4-(1,1,2,2-tetrafluoroethoxy)aniline?
The canonical SMILES for 4-(1,1,2,2-tetrafluoroethoxy)aniline is Nc1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of 4-(1,1,2,2-tetrafluoroethoxy)aniline?
The InChIKey is ZQQSVTYLRGGCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H,13H2.
What are the key properties of 4-(1,1,2,2-tetrafluoroethoxy)aniline?
4-(1,1,2,2-tetrafluoroethoxy)aniline has a molecular weight of 209.14 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2-tetrafluoroethoxy)aniline is sourced from PubChem (CID 2776630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).