3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline

C11H14F3NO2 — CID 82954400

IUPAC3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline
SMILESCCOc1cc(N)cc(OCCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-2-16-9-5-8(15)6-10(7-9)17-4-3-11(12,13)14/h5-7H,2-4,15H2,1H3
InChIKeyLIKCZDIUJNQTFI-UHFFFAOYSA-N
MW249.23 g/mol
LogP3.00
Rot. Bonds5

About 3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline

3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline (PubChem CID 82954400) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline.

Molecular Properties

Compound Name3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline
PubChem CID82954400
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline
SMILESCCOc1cc(N)cc(OCCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-2-16-9-5-8(15)6-10(7-9)17-4-3-11(12,13)14/h5-7H,2-4,15H2,1H3
InChIKeyLIKCZDIUJNQTFI-UHFFFAOYSA-N
XLogP3.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 53.00
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

3,5-diethoxyaniline
CID 22605063
5-propoxy-3-N-(3,3,3-trifluoropropyl)benzene-1,3-diamine
CID 80734994
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-propoxyaniline
CID 102721621
3-(3,3-dimethylbutoxy)-5-(trifluoromethyl)aniline
CID 82994867
3-ethoxy-5-methylaniline
CID 67863452
3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81089871
3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline
CID 80748537
3-ethoxy-5-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 81102447
2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene
CID 107723472
3-(2-ethoxyethoxy)-5-propoxyaniline
CID 80748385
3-pentoxy-5-(trifluoromethyl)aniline
CID 82995842
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
CID 80722151

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline?
The IUPAC name of 3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline (CID 82954400) is 3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline.
What is the SMILES notation for 3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline?
The canonical SMILES for 3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline is CCOc1cc(N)cc(OCCC(F)(F)F)c1.
What is the InChIKey of 3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline?
The InChIKey is LIKCZDIUJNQTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-2-16-9-5-8(15)6-10(7-9)17-4-3-11(12,13)14/h5-7H,2-4,15H2,1H3.
What are the key properties of 3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline?
3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline has a molecular weight of 249.23 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline is sourced from PubChem (CID 82954400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).