2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine

C11H10F7NO — CID 102747534

IUPAC2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
SMILESFc1ccc(OCCNCC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H10F7NO/c12-9-2-1-7(5-8(9)11(16,17)18)20-4-3-19-6-10(13,14)15/h1-2,5,19H,3-4,6H2
InChIKeyFWUOBESVBWEIHD-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.38
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine

2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine (PubChem CID 102747534) has the molecular formula C11H10F7NO and a molecular weight of 305.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
PubChem CID102747534
Molecular FormulaC11H10F7NO
Molecular Weight305.19 g/mol
Exact Mass305.07
IUPAC Name2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
SMILESFc1ccc(OCCNCC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H10F7NO/c12-9-2-1-7(5-8(9)11(16,17)18)20-4-3-19-6-10(13,14)15/h1-2,5,19H,3-4,6H2
InChIKeyFWUOBESVBWEIHD-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
CID 102747527
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 102747179
4-(4-bromobutoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 102747039
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine
CID 102747632
2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62584388
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pentanethioamide
CID 102747160
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pentane-1-sulfonamide
CID 102747732
6-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106710554
4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide
CID 102747213
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine
CID 102747245
(E)-4-[4-fluoro-3-(trifluoromethyl)phenoxy]but-2-ene-1-thiol
CID 102747791
4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 30365653

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine (CID 102747534) is 2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine is Fc1ccc(OCCNCC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine?
The InChIKey is FWUOBESVBWEIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F7NO/c12-9-2-1-7(5-8(9)11(16,17)18)20-4-3-19-6-10(13,14)15/h1-2,5,19H,3-4,6H2.
What are the key properties of 2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine?
2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine has a molecular weight of 305.19 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine is sourced from PubChem (CID 102747534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).