2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline

C11H11F6NO2 — CID 102721653

IUPAC2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline
SMILESCCOc1cc(OC(C(F)(F)F)C(F)(F)F)ccc1N
InChIInChI=1S/C11H11F6NO2/c1-2-19-8-5-6(3-4-7(8)18)20-9(10(12,13)14)11(15,16)17/h3-5,9H,2,18H2,1H3
InChIKeyWEEVNRMZDLKBMN-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.54
Rot. Bonds4

About 2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline

2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline (PubChem CID 102721653) has the molecular formula C11H11F6NO2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline.

Molecular Properties

Compound Name2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline
PubChem CID102721653
Molecular FormulaC11H11F6NO2
Molecular Weight303.20 g/mol
Exact Mass303.07
IUPAC Name2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline
SMILESCCOc1cc(OC(C(F)(F)F)C(F)(F)F)ccc1N
InChIInChI=1S/C11H11F6NO2/c1-2-19-8-5-6(3-4-7(8)18)20-9(10(12,13)14)11(15,16)17/h3-5,9H,2,18H2,1H3
InChIKeyWEEVNRMZDLKBMN-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991
2-ethoxy-4-propoxyaniline
CID 63677806
4-(3,4-dimethylphenoxy)-2-ethoxyaniline
CID 63676735
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
2-ethoxy-4-pentoxyaniline
CID 63678215
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide
CID 102722552
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-propoxyaniline
CID 102721621
4-(2-cyclopropylethoxy)-2-ethoxyaniline
CID 106199653
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline
CID 106664929

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline?
The IUPAC name of 2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline (CID 102721653) is 2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline.
What is the SMILES notation for 2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline?
The canonical SMILES for 2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline is CCOc1cc(OC(C(F)(F)F)C(F)(F)F)ccc1N.
What is the InChIKey of 2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline?
The InChIKey is WEEVNRMZDLKBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO2/c1-2-19-8-5-6(3-4-7(8)18)20-9(10(12,13)14)11(15,16)17/h3-5,9H,2,18H2,1H3.
What are the key properties of 2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline?
2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline has a molecular weight of 303.20 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline is sourced from PubChem (CID 102721653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).