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

C8H7F4NO — CID 54435699

IUPACN-(1,1,2,2-tetrafluoroethoxy)aniline
SMILESFC(F)C(F)(F)ONc1ccccc1
InChIInChI=1S/C8H7F4NO/c9-7(10)8(11,12)14-13-6-4-2-1-3-5-6/h1-5,7,13H
InChIKeyWKOOSDWVFMFRAU-UHFFFAOYSA-N
MW209.14 g/mol
LogP2.89
Rot. Bonds4

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

N-(1,1,2,2-tetrafluoroethoxy)aniline (PubChem CID 54435699) has the molecular formula C8H7F4NO and a molecular weight of 209.14 g/mol. Its IUPAC name is N-(1,1,2,2-tetrafluoroethoxy)aniline.

Molecular Properties

Compound NameN-(1,1,2,2-tetrafluoroethoxy)aniline
PubChem CID54435699
Molecular FormulaC8H7F4NO
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC NameN-(1,1,2,2-tetrafluoroethoxy)aniline
SMILESFC(F)C(F)(F)ONc1ccccc1
InChIInChI=1S/C8H7F4NO/c9-7(10)8(11,12)14-13-6-4-2-1-3-5-6/h1-5,7,13H
InChIKeyWKOOSDWVFMFRAU-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2-tetrafluoroethoxy)aniline?
The IUPAC name of N-(1,1,2,2-tetrafluoroethoxy)aniline (CID 54435699) is N-(1,1,2,2-tetrafluoroethoxy)aniline.
What is the SMILES notation for N-(1,1,2,2-tetrafluoroethoxy)aniline?
The canonical SMILES for N-(1,1,2,2-tetrafluoroethoxy)aniline is FC(F)C(F)(F)ONc1ccccc1.
What is the InChIKey of N-(1,1,2,2-tetrafluoroethoxy)aniline?
The InChIKey is WKOOSDWVFMFRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO/c9-7(10)8(11,12)14-13-6-4-2-1-3-5-6/h1-5,7,13H.
What are the key properties of N-(1,1,2,2-tetrafluoroethoxy)aniline?
N-(1,1,2,2-tetrafluoroethoxy)aniline has a molecular weight of 209.14 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2-tetrafluoroethoxy)aniline is sourced from PubChem (CID 54435699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).