4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline

C14H20F3NO3 — CID 66683770

IUPAC4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline
SMILESCOCCOCCOC(C)(c1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C14H20F3NO3/c1-13(14(15,16)17,11-3-5-12(18)6-4-11)21-10-9-20-8-7-19-2/h3-6H,7-10,18H2,1-2H3
InChIKeyQXHDEVVSDRLELI-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.73
Rot. Bonds8

About 4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline

4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline (PubChem CID 66683770) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline.

Molecular Properties

Compound Name4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline
PubChem CID66683770
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline
SMILESCOCCOCCOC(C)(c1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C14H20F3NO3/c1-13(14(15,16)17,11-3-5-12(18)6-4-11)21-10-9-20-8-7-19-2/h3-6H,7-10,18H2,1-2H3
InChIKeyQXHDEVVSDRLELI-UHFFFAOYSA-N
XLogP2.73
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline?
The IUPAC name of 4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline (CID 66683770) is 4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline.
What is the SMILES notation for 4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline?
The canonical SMILES for 4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline is COCCOCCOC(C)(c1ccc(N)cc1)C(F)(F)F.
What is the InChIKey of 4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline?
The InChIKey is QXHDEVVSDRLELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c1-13(14(15,16)17,11-3-5-12(18)6-4-11)21-10-9-20-8-7-19-2/h3-6H,7-10,18H2,1-2H3.
What are the key properties of 4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline?
4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline has a molecular weight of 307.31 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]aniline is sourced from PubChem (CID 66683770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).